data_2el8_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 2el8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.909 0.385 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 p -100.47 152.24 37.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 111.094 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.57 38.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.628 2.219 . . . . 0.0 112.364 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -40.68 -48.93 3.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.6 p -41.14 -41.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.414 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 40.6 t80 -55.24 155.07 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.43 151.47 30.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.93 104.79 17.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.2 m -152.13 168.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.197 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -95.23 150.87 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 31' ' ' LEU . 14.4 ttt180 -40.36 -63.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' ARG . 8.4 mp -37.22 -36.53 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' GLN . 20.1 mm-40 -84.16 -56.68 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -39.42 -27.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . 5.2 tm0? -80.14 -66.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.598 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 2.7 pp -52.56 -46.03 66.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.598 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 19.6 mt -40.72 -26.69 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 35' ' ' LEU . 31.4 mt -73.05 -58.31 3.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 3.8 pt-20 -62.68 -30.07 71.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.423 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 11.3 mtp85 -68.81 -52.37 30.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -120.8 78.27 30.56 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.657 0.741 . . . . 0.0 110.91 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -44.34 2.12 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.681 2.254 . . . . 0.0 112.26 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -50.65 -31.01 14.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 60.4 m -86.1 38.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.0 177.21 2.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' O ' ' CD2' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -122.78 -14.03 7.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.882 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 115' ' ' PHE . 8.1 tp -79.17 103.86 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.405 ' CB ' ' HB3' ' A' ' 115' ' ' PHE . 0.6 OUTLIER -131.06 159.66 36.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mp -118.74 131.87 56.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 49' ' ' ARG . 3.3 ppt_? -129.31 143.83 50.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.533 0.682 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.8 123.45 10.1 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.642 2.228 . . . . 0.0 112.349 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.7 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.835 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.397 -0.281 . . . . 0.0 112.397 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.7 p -112.63 156.59 13.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.796 0.332 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -105.15 161.12 14.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.7 t -121.44 108.97 23.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.419 HG23 ' CD2' ' A' ' 74' ' ' HIS . 4.6 m -85.17 119.23 25.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.5 p -135.01 123.15 22.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -108.01 93.37 4.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -104.44 156.97 17.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 tpt -67.46 127.29 32.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -136.89 123.9 21.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 43.08 26.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.27 42.41 83.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.6 t -134.4 160.82 36.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 111.206 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -96.11 103.78 15.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 72' ' ' VAL . 14.4 p -145.03 143.11 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.433 ' N ' HG23 ' A' ' 71' ' ' VAL . 1.9 p -115.02 146.76 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -117.34 143.55 45.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.419 ' CD2' HG23 ' A' ' 61' ' ' THR . 8.3 m-70 -120.84 104.98 10.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.802 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -79.96 160.81 25.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 87' ' ' ASP . 35.7 tptt -117.23 149.12 40.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.961 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.5 t -125.19 119.15 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -77.81 159.75 28.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -121.87 92.38 3.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -112.97 88.42 2.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.07 -154.05 40.56 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 3.37 2.78 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.747 2.298 . . . . 0.0 112.368 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -118.76 166.09 13.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -125.82 103.5 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.8 t -72.57 141.16 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.3 mt -92.86 133.06 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 76' ' ' LYS . 23.1 p-10 -73.41 77.49 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 89' ' ' GLU . 15.3 m -143.66 -176.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 88' ' ' VAL . 2.6 mp0 -36.43 -64.68 0.32 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -108.03 144.03 28.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.612 0.72 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 82.3 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.745 2.296 . . . . 0.0 112.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -71.61 110.86 6.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.8 p -86.04 134.55 33.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.4 p -122.63 -176.39 3.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.6 t -113.4 -18.46 12.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 t -161.07 171.91 17.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.87 -38.47 88.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -48.54 -53.85 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -43.01 -56.68 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.3 t -42.09 -58.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.3 t -46.54 -40.26 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.194 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -72.08 -58.44 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.525 ' C ' ' CD1' ' A' ' 103' ' ' TYR . 1.5 t80 -41.9 -42.33 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -63.24 -41.55 99.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 91.3 t -57.66 -53.57 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.6 t -69.29 -33.96 73.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -56.22 -61.1 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.815 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.7 p -54.64 154.71 4.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -79.87 -2.07 41.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -131.35 142.08 50.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.55 96.27 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.058 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.0 mt -76.63 171.2 15.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 93.7 t -129.95 136.69 29.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.725 0.774 . . . . 0.0 111.12 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 162.44 42.05 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 116' ' ' LEU . 5.7 t80 -110.54 140.95 44.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' A' ' 115' ' ' PHE . 56.6 tp -149.67 155.42 40.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.19 111.44 4.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.928 0.394 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -112.54 152.38 44.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 111.155 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 167.14 25.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.761 2.307 . . . . 0.0 112.366 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 m -67.59 -46.01 73.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 p -50.54 -31.03 14.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -57.93 151.72 17.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 115' ' ' PHE . 0.3 OUTLIER -152.41 151.77 31.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.41 104.98 17.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 m -150.88 175.24 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 t -80.9 160.11 24.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -49.0 -47.92 43.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.9 mt -70.21 -50.14 43.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 33' ' ' ALA . 40.2 mm-40 -46.17 -63.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -37.54 -37.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -64.58 0.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.528 ' CD1' ' C ' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -50.7 -27.38 6.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.88 -41.5 87.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.41 -62.68 1.67 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 9.6 pt-20 -49.12 -42.03 37.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 14.2 mmt180 -58.63 -51.5 69.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -117.61 79.79 12.88 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.643 0.735 . . . . 0.0 110.919 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -15.8 37.31 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.615 2.21 . . . . 0.0 112.375 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -88.72 -25.85 22.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.6 m -60.74 -52.56 64.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.4 -178.11 37.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.26 -42.53 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 tp -77.3 102.86 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.38 131.83 50.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.4 mp -98.93 119.66 38.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -112.35 149.42 41.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.674 0.749 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 146.09 59.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.653 2.235 . . . . 0.0 112.394 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.854 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.0 m -120.21 155.55 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.837 0.351 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.3 m -90.48 146.03 24.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.0 t -117.29 112.94 41.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.183 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 64.1 m -97.54 108.57 21.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.5 p -125.19 132.48 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.8 ptt85 -137.96 152.16 48.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.89 165.5 27.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.1 tpt -91.05 124.03 34.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.443 ' C ' ' OD1' ' A' ' 67' ' ' ASN . 2.0 t60 -148.82 140.75 23.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.443 ' OD1' ' C ' ' A' ' 66' ' ' HIS . 3.8 p-10 41.79 29.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 55.63 41.4 81.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.452 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 t -125.52 163.78 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 111.149 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -102.45 107.03 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.1 t -124.21 133.11 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.5 t -129.5 111.37 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -98.59 152.31 19.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -133.22 116.63 16.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -93.51 161.87 14.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -131.09 143.27 50.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.0 t -129.37 122.04 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 168.21 19.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -121.87 100.27 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -116.94 87.72 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.82 -153.21 46.89 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.436 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.67 -3.04 11.14 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.229 . . . . 0.0 112.413 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -109.0 164.73 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.455 ' CE2' ' HG ' ' A' ' 97' ' ' LEU . 36.3 m-85 -120.55 117.27 27.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.1 m -101.06 113.55 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 87' ' ' ASP . 83.1 mt -62.95 154.7 5.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.183 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.415 ' N ' HG21 ' A' ' 86' ' ' ILE . 18.5 t0 -90.16 41.29 1.04 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' GLU . 16.8 m -107.81 -175.97 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 88' ' ' VAL . 20.8 tt0 -36.52 -65.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -104.85 142.97 25.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.61 0.719 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 85.05 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.71 2.274 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -60.64 98.55 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.6 p -88.86 112.36 23.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.407 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . 27.6 p -120.18 -178.77 3.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 75.4 p -79.36 -57.54 3.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.4 m -139.38 177.5 7.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.455 ' HG ' ' CE2' ' A' ' 84' ' ' TYR . 39.2 mt -51.7 -47.8 63.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -36.0 -49.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.952 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.407 ' CB ' ' HB2' ' A' ' 94' ' ' CYS . . . -57.29 -53.28 59.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.2 t -46.33 -49.05 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.153 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 82.6 t -53.53 -45.45 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -68.71 -43.82 75.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -49.27 -46.14 45.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 105' ' ' VAL . 30.5 m-85 -62.28 -59.82 4.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 104' ' ' PHE . 90.8 t -36.72 -49.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.9 t -74.73 -49.56 20.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -42.97 -61.39 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.2 t -51.26 146.4 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -74.01 -12.93 60.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -124.92 125.27 43.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.33 100.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.5 mt -80.19 138.3 36.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.26 126.11 49.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 150.03 67.77 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.658 2.239 . . . . 0.0 112.351 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.534 ' CD1' HD23 ' A' ' 26' ' ' LEU . 8.0 t80 -97.11 127.02 42.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.0 tp -135.46 130.51 34.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.9 tp -128.59 114.0 16.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.864 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.961 0.41 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -124.46 149.11 60.56 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.545 0.688 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 179.12 3.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.1 t -77.61 -33.81 53.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.9 p -59.7 -36.98 77.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.824 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -55.45 154.92 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.34 152.68 32.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -97.29 104.86 16.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 m -151.9 174.63 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.9 m -90.79 165.06 13.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.61 -56.12 9.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 mt -53.69 -46.8 70.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -59.13 -58.51 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.59 -38.57 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -75.73 -56.91 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.533 ' CD1' ' C ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.38 -26.05 28.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 mt -68.91 -27.37 65.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -70.71 -36.52 73.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -79.53 -28.7 41.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -74.69 -40.6 61.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -130.69 74.52 80.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.607 0.718 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 -36.6 10.26 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.607 2.205 . . . . 0.0 112.296 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -66.38 -45.7 79.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.8 t -45.92 -47.45 16.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.52 178.11 36.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -124.53 -28.21 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 tp -87.36 99.86 12.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.96 137.74 54.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.1 mp -98.71 119.37 37.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.6 ptt85 -115.19 147.17 37.9 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.66 0.743 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 139.26 39.99 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.77 2.313 . . . . 0.0 112.289 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.1 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.873 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.448 ' HA2' ' CG1' ' A' ' 77' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.7 m -125.5 162.2 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 0.0 111.074 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t -103.51 124.89 49.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.5 t -90.12 109.6 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.7 m -99.99 111.52 23.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.102 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.4 p -114.09 150.61 33.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 ttt-85 -118.12 85.24 2.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -98.15 162.81 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -107.41 127.41 53.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -150.06 153.38 36.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.9 t30 50.72 26.02 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.47 30.05 67.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.7 t -140.56 154.62 46.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.824 0.345 . . . . 0.0 111.131 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 70' ' ' HIS . 26.4 p-80 -76.84 119.64 20.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 72' ' ' VAL . 14.5 p -128.66 143.83 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.135 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.459 ' N ' HG23 ' A' ' 71' ' ' VAL . 71.2 t -133.33 121.79 43.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -124.19 154.28 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -118.07 162.2 18.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -137.25 108.56 6.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 3.3 ttmm -87.01 120.39 28.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.448 ' CG1' ' HA2' ' A' ' 57' ' ' GLY . 9.4 p -90.28 132.95 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.09 167.55 9.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -126.98 87.85 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -118.04 91.33 3.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.5 -156.32 46.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 0.93 4.96 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.75 149.0 48.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.444 ' CB ' HG22 ' A' ' 77' ' ' VAL . 2.8 m-85 -102.68 157.95 16.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.0 t -128.71 91.26 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.461 HG23 ' N ' ' A' ' 87' ' ' ASP . 2.8 mt -42.27 152.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.461 ' N ' HG23 ' A' ' 86' ' ' ILE . 41.8 p-10 -99.18 76.26 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 89' ' ' GLU . 5.9 m -136.66 -177.35 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' VAL . 4.3 tp10 -34.44 -59.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -111.58 143.1 27.87 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.532 0.682 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 88.96 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.365 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.511 ' CE2' ' SG ' ' A' ' 94' ' ' CYS . 68.8 t80 -82.02 118.39 22.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 99.4 p -100.1 159.99 14.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.511 ' SG ' ' CE2' ' A' ' 92' ' ' PHE . 1.8 m -164.76 147.97 8.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.8 p -72.9 -47.11 48.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.8 m -124.38 161.55 25.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 100' ' ' VAL . 12.2 mt -60.99 -44.55 97.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -37.29 -49.45 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.54 96.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 97' ' ' LEU . 69.5 t -52.09 -42.16 34.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.18 -43.43 93.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -60.99 -44.26 97.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.5 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 21.1 t80 -42.24 -52.27 4.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -59.85 -46.8 88.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 84.8 t -43.58 -47.8 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.4 t -78.46 -45.66 21.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -52.06 -67.27 0.27 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 65.9 p -41.41 124.52 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.202 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 109' ' ' LYS . 2.2 tmtm? -56.32 -47.83 77.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.5 137.88 33.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -43.99 120.16 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.1 tp -106.2 137.41 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.9 t -107.48 132.22 21.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.646 0.736 . . . . 0.0 111.127 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 161.89 44.18 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.764 2.309 . . . . 0.0 112.377 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 6.6 t80 -110.3 124.75 52.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.9 tp -138.19 131.76 30.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.9 tt -135.02 106.18 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.4 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.833 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -101.84 150.28 37.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 111.151 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 160.46 49.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.632 2.221 . . . . 0.0 112.347 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.5 m -67.37 -33.28 74.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.7 p -64.57 -20.23 66.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 24.8 t80 -73.7 153.71 39.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.415 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -152.41 153.17 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.941 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -95.33 105.07 16.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 m -151.3 158.4 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -68.47 -179.92 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -66.08 -32.78 74.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 mt -89.46 -50.82 5.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -44.4 -32.19 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.43 -50.47 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -52.54 -47.05 66.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -66.13 -37.0 84.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.94 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 mt -55.57 -20.01 11.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.969 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.9 mt -80.41 -65.42 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -51.2 -27.45 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -74.33 -44.77 51.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -126.33 80.48 68.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.722 0.773 . . . . 0.0 110.947 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -25.83 28.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -77.62 -36.25 51.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.8 m -54.07 -38.9 65.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.03 172.02 16.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.491 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -115.0 -36.95 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.03 108.17 11.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.08 132.08 41.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.7 mp -98.1 114.09 26.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -112.71 146.69 35.55 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.594 0.711 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 129.6 17.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.351 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.833 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 59' ' ' SER . 5.1 p -125.47 153.92 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 111.128 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.431 ' N ' HG23 ' A' ' 58' ' ' VAL . 48.0 t -124.19 147.69 47.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.43 129.87 59.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.4 m -117.99 110.32 17.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.8 p -114.53 136.92 52.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.174 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -142.71 111.86 6.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.417 ' OE1' ' C ' ' A' ' 64' ' ' GLN . 1.0 OUTLIER -141.24 132.34 26.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.0 ttm -41.98 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -122.37 126.73 48.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.783 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 62.91 26.8 15.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.37 30.51 77.78 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.477 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.4 t -141.37 163.65 32.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 0.0 111.143 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' A' ' 70' ' ' HIS . 47.9 p-80 -92.38 101.31 13.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.3 m -107.3 136.43 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.9 t -134.18 106.68 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -109.33 176.97 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -145.1 134.2 22.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -109.22 138.28 45.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -93.54 164.67 13.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.4 t -133.1 119.5 36.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -78.65 144.84 35.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -106.14 98.35 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -123.38 74.69 1.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.1 -148.54 33.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -11.22 30.4 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.736 2.291 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -99.99 152.25 20.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -117.8 97.03 5.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.469 ' CG1' ' HA ' ' A' ' 91' ' ' PRO . 43.3 t -73.93 127.36 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.643 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 43.8 mt -73.13 158.92 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -87.34 42.91 1.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLU . 20.6 m -103.16 170.45 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' VAL . 23.1 mt-10 -38.47 -47.25 1.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -113.13 140.9 24.79 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.661 0.743 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.469 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 54.1 Cg_endo -69.67 88.33 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.268 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -79.31 112.03 16.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.2 t -86.65 150.07 24.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 15.4 p -144.65 163.84 32.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.5 p -73.09 -40.54 64.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.8 m -158.09 175.14 14.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 98' ' ' ASP . 21.2 mt -49.53 -46.07 48.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 97' ' ' LEU . 17.1 t70 -36.5 -59.1 0.68 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 102' ' ' ASN . . . -47.84 -55.72 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 75.2 t -39.48 -43.41 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.0 -37.86 79.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 99' ' ' ALA . 72.7 m-80 -76.72 -50.56 13.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.643 ' CD2' ' CD1' ' A' ' 86' ' ' ILE . 40.2 t80 -39.95 -54.42 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -58.5 -57.1 14.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 95.6 t -38.29 -56.26 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t -67.28 -48.82 66.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -41.97 -64.17 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.3 t -59.74 139.8 56.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.42 ' C ' ' HE2' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -49.95 -70.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -62.71 150.21 41.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.971 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.24 96.44 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.4 tp -63.5 155.07 30.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 44.1 t -125.31 128.01 24.84 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.693 0.759 . . . . 0.0 111.129 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 158.5 56.82 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.647 2.232 . . . . 0.0 112.348 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 3.2 t80 -106.41 129.05 54.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.7 tp -136.14 151.32 49.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -138.53 106.33 5.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.857 0.36 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.435 HG22 ' CD1' ' A' ' 97' ' ' LEU . 2.3 p -88.36 152.0 49.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 111.183 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 144.98 55.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.314 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.0 m -46.71 -50.26 18.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 p -42.98 -30.09 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -58.89 151.9 20.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.798 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.38 152.43 32.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -97.28 104.6 16.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.2 m -150.02 174.3 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 m -81.59 170.49 15.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -61.24 -33.57 73.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.69 -44.99 13.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.5 -43.74 62.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.31 75.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.42 ' OE1' ' NH2' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -66.49 -55.3 16.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.448 ' CD1' ' HD2' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -62.82 -36.52 83.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.962 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -47.17 -26.05 1.05 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.8 mt -70.21 -59.16 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 9.5 pt-20 -56.56 -37.77 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HD2' ' CD1' ' A' ' 35' ' ' LEU . 52.4 mtt-85 -66.67 -48.89 67.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 115' ' ' PHE . 11.9 m-85 -120.7 73.08 22.75 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.727 . . . . 0.0 110.859 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -40.17 5.71 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 43' ' ' CYS . 34.6 mt-10 -65.75 -56.93 9.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 42' ' ' GLU . 56.7 m -34.28 -52.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.23 -175.72 44.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -131.5 -40.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 tp -76.95 93.44 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.43 165.26 11.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.79 112.19 13.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.403 ' C ' ' HD2' ' A' ' 49' ' ' ARG . 5.0 ppt_? -106.02 144.32 28.7 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.64 0.733 . . . . 0.0 110.857 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 139.21 39.72 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.718 2.279 . . . . 0.0 112.309 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.4 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.847 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.0 t -124.37 145.71 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -102.4 147.29 26.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.7 t -114.2 111.51 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.181 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.2 m -102.0 129.07 48.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.2 p -141.41 134.83 29.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.42 ' NH2' ' OE1' ' A' ' 34' ' ' GLN . 14.6 ttm180 -126.09 96.57 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.445 ' NE2' HD12 ' A' ' 112' ' ' LEU . 34.7 mt-30 -97.52 151.2 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.975 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.8 tpt -75.96 107.27 8.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -136.11 150.2 49.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 46.69 32.61 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.86 31.59 10.39 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.9 t -140.63 135.58 31.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.741 0.305 . . . . 0.0 111.129 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -65.71 115.31 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.0 t -131.72 134.15 60.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.7 t -114.08 131.22 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -110.92 172.65 6.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -144.66 148.73 34.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -138.15 152.46 48.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -114.11 147.73 38.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.8 t -129.14 104.81 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -69.14 154.38 42.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 79' ' ' ARG . 3.1 tmm_? -113.55 108.62 17.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -125.73 100.24 6.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.94 -157.32 52.39 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -1.87 9.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.607 2.204 . . . . 0.0 112.368 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -122.43 166.15 15.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.4 157.98 22.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.6 t -133.14 121.38 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.061 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.424 ' CD1' ' CD1' ' A' ' 103' ' ' TYR . 56.8 mt -70.55 154.48 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.046 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -91.14 45.6 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.5 m -104.94 -176.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.9 -50.27 3.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -119.99 141.88 32.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 93.02 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.743 2.295 . . . . 0.0 112.347 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -77.45 112.69 14.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.0 p -87.21 132.26 33.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.799 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 21.2 p -129.37 176.62 7.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 96' ' ' SER . 7.7 t -104.07 -42.3 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.436 ' N ' HG23 ' A' ' 95' ' ' THR . 74.8 m -132.37 170.41 15.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.435 ' CD1' HG22 ' A' ' 21' ' ' THR . 13.1 mt -68.12 -44.29 76.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -37.09 -60.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.795 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -45.33 -58.9 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 99.4 t -38.43 -57.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 58.6 t -45.06 -42.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -74.81 -38.42 62.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.424 ' CD1' ' CD1' ' A' ' 86' ' ' ILE . 33.2 t80 -52.98 -69.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 105' ' ' VAL . 13.3 m-85 -38.39 -58.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 109' ' ' LYS . 87.4 t -35.61 -46.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.08 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.7 t -81.82 -39.39 24.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -41.59 -70.09 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.793 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 109' ' ' LYS . 9.0 t -88.7 -52.23 5.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 105' ' ' VAL . 21.6 mmmt -93.56 -175.29 3.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.76 -34.64 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -154.13 106.34 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.445 HD12 ' NE2' ' A' ' 64' ' ' GLN . 10.3 mt -122.08 -176.89 3.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 89.3 t -127.97 125.12 23.46 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 111.08 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.4 65.07 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 40' ' ' TYR . 9.7 t80 -92.92 112.93 25.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.6 tp -114.1 143.05 45.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 tp -140.71 118.24 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.422 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 2.5 p30 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.994 0.426 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -134.37 147.4 63.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.555 0.693 . . . . 0.0 111.202 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.37 66.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.0 m -48.8 -54.08 16.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.1 p -38.58 -43.58 0.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -44.5 156.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.56 HD23 ' CD1' ' A' ' 115' ' ' PHE . 0.3 OUTLIER -152.48 151.57 30.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -97.46 104.61 16.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 m -151.66 168.58 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 m -75.36 -176.72 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.832 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.5 ttt-85 -62.5 -56.01 22.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 34' ' ' GLN . 13.0 mt -71.86 -47.63 51.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -40.48 -42.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.28 87.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' LEU . 10.4 tt0 -65.18 -54.11 34.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.405 ' CD1' ' C ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -59.45 -33.77 71.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 mt -56.17 -21.03 20.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.8 mt -76.48 -63.43 1.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -57.09 -24.05 51.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -78.05 -49.85 13.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -119.62 78.98 21.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.666 0.746 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -46.43 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.73 2.287 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' CYS . 12.4 mm-40 -52.9 -58.88 5.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLU . 77.5 m -37.46 -48.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.77 174.65 22.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.486 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.89 -35.9 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.0 tp -72.12 93.75 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.488 ' CD1' ' C ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -120.35 140.71 50.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.1 mp -103.43 105.2 15.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -104.31 143.62 27.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.636 0.731 . . . . 0.0 110.892 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 136.58 33.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.272 . . . . 0.0 112.303 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.813 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.2 t -145.05 143.49 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -129.96 147.26 51.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.799 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.1 t -107.45 112.47 40.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.5 m -96.9 114.05 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.3 p -120.75 123.12 41.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.3 tpt85 -84.84 86.23 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -105.39 167.56 9.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.6 tpt -102.17 124.75 48.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -134.7 143.9 47.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 42.59 33.55 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.87 39.83 40.79 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.467 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.1 t -138.12 148.81 45.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 111.12 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' A' ' 70' ' ' HIS . 55.1 p-80 -72.82 107.6 5.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.6 p -148.74 139.22 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 96.2 t -108.43 142.62 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -111.08 161.06 16.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -145.27 110.73 5.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.78 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -83.98 124.7 31.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.995 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -82.15 144.52 30.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.2 t -118.17 106.48 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 79' ' ' ARG . 5.6 tmtm? -69.04 145.67 53.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -104.97 105.62 15.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.453 ' O ' ' CD ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -130.64 93.43 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.65 -156.06 53.34 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 3.07 3.01 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.698 2.266 . . . . 0.0 112.275 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 94' ' ' CYS . 0.0 OUTLIER -123.45 171.62 9.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.89 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -126.29 161.04 28.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 85.6 t -130.19 127.15 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.086 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 69.8 mt -75.24 148.25 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -82.81 46.42 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.4 m -111.14 174.05 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -41.63 -49.57 4.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -109.55 129.81 23.5 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 86.8 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.409 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 30.7 t80 -72.65 115.83 12.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.5 p -89.71 131.36 35.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.831 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 83' ' ' LYS . 22.8 p -124.64 174.63 7.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 t -98.17 -33.35 11.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.4 t -148.22 164.12 34.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 98' ' ' ASP . 45.7 mt -53.08 -47.21 68.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 97' ' ' LEU . 3.1 t0 -37.76 -50.07 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -51.36 -51.59 53.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.8 t -43.35 -50.11 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 92.5 t -54.28 -50.79 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -60.82 -55.57 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.409 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 40.6 t80 -40.15 -54.91 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' A' ' 105' ' ' VAL . 22.1 m-85 -55.43 -63.89 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 104' ' ' PHE . 55.9 t -35.4 -59.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.4 t -60.03 -56.04 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -41.96 -61.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.9 t -61.67 139.39 58.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.21 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -64.96 -58.17 6.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -62.95 154.02 31.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.22 96.37 9.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.058 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.7 mp -73.53 166.23 23.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 70.7 t -119.32 130.94 24.57 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.584 0.707 . . . . 0.0 111.094 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 139.88 41.36 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.56 ' CD1' HD23 ' A' ' 26' ' ' LEU . 13.7 t80 -87.39 125.64 34.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.1 tp -134.88 131.71 37.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 tp -131.12 110.46 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.908 0.385 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 p -142.34 150.25 54.29 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.567 0.699 . . . . 0.0 111.15 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 154.39 68.07 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.679 2.252 . . . . 0.0 112.366 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 p -58.15 -37.65 75.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.3 m -51.67 -34.83 39.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CD2' ' O ' ' A' ' 48' ' ' LEU . 8.0 t80 -61.62 150.93 34.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.439 ' CD1' HD12 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.47 153.72 34.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.974 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -93.29 104.91 17.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 m -147.66 174.52 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.8 m -86.92 167.82 13.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 -50.67 -49.79 56.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 mt -67.37 -52.21 42.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -42.09 -51.24 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.47 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -57.49 -61.05 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -51.45 -60.78 2.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.551 ' CD1' ' C ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -55.55 -33.46 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.77 -32.56 74.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.403 ' CD2' HD23 ' A' ' 47' ' ' LEU . 74.2 mt -56.72 -59.63 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -64.23 -33.84 76.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -62.2 -56.39 19.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -110.01 81.25 2.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.683 0.754 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -42.95 2.98 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.744 2.296 . . . . 0.0 112.289 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.86 -46.39 90.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.6 m -50.19 -50.29 49.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.53 -178.56 28.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.449 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.65 -42.58 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.462 ' HB2' ' CD2' ' A' ' 112' ' ' LEU . 5.6 tp -70.2 96.13 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.47 HD13 ' CB ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -117.11 176.71 5.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 5.8 mp -139.51 113.94 9.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -106.39 142.05 24.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.719 . . . . 0.0 110.825 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.442 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.77 144.21 53.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.298 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.9 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.843 -179.855 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.438 ' CG1' HD21 ' A' ' 97' ' ' LEU . 10.6 p -122.91 156.14 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 m -120.04 146.93 45.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.489 HG11 ' CE2' ' A' ' 104' ' ' PHE . 94.6 t -100.34 118.52 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.201 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.3 m -109.33 121.3 44.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.0 p -138.23 141.32 39.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -124.71 144.87 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -142.06 177.89 7.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 ttm -108.22 103.89 13.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -135.74 128.27 30.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 73.38 27.04 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 58.98 30.41 66.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.432 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -141.14 159.02 43.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.363 . . . . 0.0 111.111 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -83.29 111.07 18.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.2 m -111.01 135.04 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.3 t -132.79 117.42 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -108.9 139.7 43.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -113.07 118.87 35.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -105.9 159.49 15.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -119.21 166.72 12.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.0 t -131.38 98.52 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -69.19 160.07 31.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -111.95 104.43 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.948 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -118.16 84.95 2.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.44 -156.0 33.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.444 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -5.45 16.24 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.394 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? -122.2 169.92 10.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -117.92 144.2 45.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.0 m -121.51 117.41 52.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.526 HD11 ' CD1' ' A' ' 92' ' ' PHE . 76.3 mt -47.92 156.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -91.69 46.38 1.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.4 m -111.64 -175.17 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -49.34 -51.76 32.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.35 130.61 22.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 86.38 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.704 2.27 . . . . 0.0 112.324 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.561 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 4.1 t80 -74.43 102.09 4.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.7 p -84.6 152.98 23.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.415 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . 26.6 p -151.02 -175.79 5.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.8 t -83.95 -43.81 14.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -152.18 170.18 20.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.795 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.438 HD21 ' CG1' ' A' ' 58' ' ' VAL . 19.4 mt -46.68 -43.96 18.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -37.39 -58.3 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.415 ' CB ' ' HB2' ' A' ' 94' ' ' CYS . . . -46.46 -55.27 7.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 96.9 t -40.15 -55.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.0 t -47.19 -49.95 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -60.22 -44.62 95.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -51.64 -59.74 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.489 ' CE2' HG11 ' A' ' 60' ' ' VAL . 7.5 m-85 -49.74 -42.35 45.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.4 t -54.1 -47.69 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.151 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 t -71.85 -51.93 19.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -45.22 -49.7 12.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.5 p -62.28 122.34 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -55.64 -27.61 50.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -110.95 125.02 53.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -43.35 99.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 46' ' ' LEU . 8.2 tp -81.9 120.1 24.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.3 t -81.46 128.96 67.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.656 0.741 . . . . 0.0 111.131 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 148.9 66.22 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -96.81 110.65 23.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.5 tp -128.61 130.23 47.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.9 tt -120.51 106.29 11.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.6 t0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.876 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.91 0.386 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 p -115.64 152.19 46.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 0.0 111.09 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' SER . 54.1 Cg_endo -69.75 132.88 24.26 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.631 2.22 . . . . 0.0 112.325 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' PRO . 63.7 p -36.35 -54.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -37.57 -45.21 0.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -50.47 158.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.565 HD22 ' CD1' ' A' ' 115' ' ' PHE . 0.3 OUTLIER -152.32 156.45 39.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.39 104.43 14.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.42 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 4.0 m -149.11 175.34 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.4 m -83.15 156.88 23.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.45 ' HD2' ' N ' ' A' ' 31' ' ' LEU . 2.0 tmm_? -43.27 -46.9 6.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' N ' ' HD2' ' A' ' 30' ' ' ARG . 14.6 mt -73.66 -52.16 14.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -39.53 -57.31 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.42 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . . . -49.81 -49.69 47.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -51.67 -69.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.428 ' C ' HD13 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -51.04 -39.49 56.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.56 HD23 ' CZ ' ' A' ' 115' ' ' PHE . 7.5 tp -40.14 -33.32 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.86 -62.47 1.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 3.7 pt-20 -51.45 -28.19 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.502 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 11.1 mmt180 -75.12 -47.93 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.502 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 4.9 m-85 -128.57 77.65 77.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.741 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 -48.86 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.596 2.198 . . . . 0.0 112.371 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -46.98 -53.02 13.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.8 t -40.75 -36.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 135.15 164.99 10.63 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.93 17.38 21.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 110.799 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.2 tp -117.68 83.24 1.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 115' ' ' PHE . 0.7 OUTLIER -113.58 146.56 39.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.948 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.3 mp -108.71 113.29 26.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.6 ptt85 -107.53 140.89 21.97 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.691 0.758 . . . . 0.0 110.801 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 126.16 12.94 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.7 2.266 . . . . 0.0 112.291 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.785 -179.766 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 59' ' ' SER . 92.6 t -129.79 148.18 33.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.419 ' N ' HG12 ' A' ' 58' ' ' VAL . 1.3 t -122.97 127.68 49.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.0 t -92.77 126.93 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.8 m -107.43 118.1 35.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.9 p -124.7 128.88 49.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -112.1 86.56 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -93.36 173.8 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.1 ttt -112.26 125.52 54.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -145.41 126.55 14.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 71.3 36.71 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.15 37.51 30.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.0 t -141.25 164.33 30.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 111.097 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -94.15 126.13 39.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.3 p -143.53 139.78 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 67.9 t -108.82 115.75 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -100.43 140.4 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -115.18 143.89 44.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -126.69 138.63 53.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 77' ' ' VAL . 4.4 tppp? -110.14 154.69 22.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.418 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 84.2 t -133.31 112.61 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -71.42 161.77 30.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -115.42 113.42 23.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -133.73 81.97 1.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.12 -160.64 29.75 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.559 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 2.96 3.1 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.734 2.289 . . . . 0.0 112.289 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.44 162.29 20.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -118.4 122.31 42.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.6 m -102.21 140.38 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.431 ' CD1' ' CD1' ' A' ' 103' ' ' TYR . 39.8 mt -81.49 149.19 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -87.34 53.09 2.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 89' ' ' GLU . 7.1 m -114.68 178.04 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' VAL . 36.0 mt-10 -34.44 -49.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -121.93 136.48 26.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.61 0.719 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 90.41 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -75.12 106.64 6.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 93.5 p -79.6 137.5 37.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.7 p -131.57 175.88 8.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.463 HG23 ' N ' ' A' ' 96' ' ' SER . 9.9 t -96.51 -45.61 6.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.463 ' N ' HG23 ' A' ' 95' ' ' THR . 4.8 m -140.95 166.81 23.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.6 mt -47.75 -52.21 19.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -38.9 -59.56 0.95 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -41.03 -53.11 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 85.2 t -45.49 -48.73 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 86.3 t -56.02 -47.36 80.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -60.55 -45.08 95.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.431 ' CD1' ' CD1' ' A' ' 86' ' ' ILE . 11.5 t80 -50.12 -50.31 48.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -60.02 -54.88 40.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 86.1 t -44.27 -55.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.0 t -65.87 -45.27 82.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.787 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -41.55 -60.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.5 p -67.01 139.22 57.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.425 ' HD3' ' C ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -54.0 -38.82 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -96.64 127.0 42.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.83 109.0 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.23 161.95 30.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.0 t -110.96 122.69 37.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.668 0.747 . . . . 0.0 111.166 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 148.56 65.03 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.556 2.171 . . . . 0.0 112.418 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.565 ' CD1' HD22 ' A' ' 26' ' ' LEU . 4.4 t80 -105.22 114.87 29.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.4 tp -115.49 151.89 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.461 HD11 ' N ' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -150.88 116.45 5.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.461 ' N ' HD11 ' A' ' 117' ' ' LEU . 1.1 p30 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.965 0.412 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -142.08 151.69 59.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 151.44 68.39 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.644 2.23 . . . . 0.0 112.329 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.2 m -61.38 -20.04 62.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.5 p -76.72 -19.84 57.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -74.13 146.22 43.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.73 149.88 28.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' HA ' ' CD ' ' A' ' 50' ' ' PRO . 27.0 mtmt -85.21 105.04 15.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 m -150.26 161.3 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 30' ' ' ARG . 1.4 t -86.65 137.79 32.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' SER . 11.6 ptm180 -33.9 -41.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -56.17 -64.94 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -50.79 -46.56 59.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.466 ' HB2' ' CD1' ' A' ' 47' ' ' LEU . . . -55.22 -57.27 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -46.18 -63.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -58.97 -35.13 72.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -58.36 -43.36 88.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.998 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.453 HD13 ' CB ' ' A' ' 63' ' ' ARG . 44.4 mt -44.86 -58.44 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 6.2 pt-20 -63.28 -40.49 97.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 18.9 mtt180 -52.4 -53.78 40.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -107.55 80.65 0.96 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.666 0.746 . . . . 0.0 110.963 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -3.95 13.02 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.715 2.276 . . . . 0.0 112.343 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -106.87 -44.69 4.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.9 m -51.25 -33.7 29.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.38 -175.51 20.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -130.88 -32.0 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.949 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 tp -85.52 94.47 9.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 26' ' ' LEU . 0.9 OUTLIER -108.23 -176.6 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.6 mp -143.95 130.03 19.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.5 ptt-85 -127.16 142.6 44.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.571 0.7 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.454 ' CD ' ' HA ' ' A' ' 27' ' ' LYS . 53.6 Cg_endo -69.75 141.32 44.97 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.807 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.9 m -111.68 161.1 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 111.088 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 t -112.16 133.15 54.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.7 t -95.88 121.64 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.1 m -107.66 114.99 29.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.7 p -119.36 134.66 55.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.453 ' CB ' HD13 ' A' ' 37' ' ' LEU . 69.4 ttt-85 -126.43 86.57 2.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -95.96 166.25 11.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.6 mtp -99.9 96.06 7.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -107.7 136.57 47.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 52.19 27.84 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.85 40.7 99.57 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.439 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.5 t -138.92 164.33 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 111.093 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -92.16 104.43 16.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.782 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.7 m -111.12 132.35 59.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 78.3 t -129.13 114.59 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -122.79 168.37 12.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -131.69 149.2 52.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -132.17 108.11 9.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.78 146.57 51.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.5 t -111.81 101.5 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.185 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 79' ' ' ARG . 20.7 tptt -66.04 149.8 49.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 0.9 OUTLIER -116.31 88.04 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -111.14 95.68 5.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.06 -159.5 47.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.51 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 2.86 3.18 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.32 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -124.8 161.5 26.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -106.32 144.1 33.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 68.9 t -117.31 116.05 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.561 HD12 ' CD1' ' A' ' 103' ' ' TYR . 2.4 mt -68.82 127.45 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.082 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -72.62 75.75 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.81 -174.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -41.78 -58.82 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -107.82 143.24 26.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.522 0.677 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 89.01 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.73 2.286 . . . . 0.0 112.295 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -77.66 124.96 28.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 91.2 p -107.29 130.4 54.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.6 p -128.44 179.41 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.32 -39.18 9.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 m -142.89 -177.92 5.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.16 -28.22 63.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -53.33 -48.16 68.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.11 65.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 87.1 t -44.76 -50.3 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 91.4 t -50.2 -39.19 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -78.34 -39.99 37.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.561 ' CD1' HD12 ' A' ' 86' ' ' ILE . 21.3 t80 -47.28 -52.22 16.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -59.84 -46.18 90.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 49.3 t -50.31 -45.03 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.8 t -73.94 -55.43 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -44.6 -63.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 44.5 p -51.23 143.05 11.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -22.9 50.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -122.75 151.21 41.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.05 98.84 8.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.89 159.02 35.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.4 t -108.49 135.54 20.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.729 . . . . 0.0 111.189 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 147.16 62.31 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.418 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -95.01 120.85 35.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.5 tp -126.67 131.52 51.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.32 110.74 15.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.0 t70 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.815 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.894 0.378 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -107.8 153.03 41.79 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.601 0.715 . . . . 0.0 111.075 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 160.65 48.93 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.0 p -61.62 -36.16 79.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p -52.79 -37.36 59.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 9.0 t80 -60.94 153.3 25.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -152.38 154.5 35.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.89 105.21 17.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.8 m -152.01 170.59 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.1 p -79.44 151.06 31.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.67 -18.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.8 mt -88.46 -50.79 6.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -56.26 -49.07 75.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.32 -38.34 8.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -68.35 -69.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.427 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -54.67 -21.55 11.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.8 mt -65.15 -25.73 67.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.1 mt -71.15 -57.73 4.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.22 -32.9 72.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.427 ' HG3' ' CD1' ' A' ' 35' ' ' LEU . 17.3 mmt180 -67.12 -54.55 20.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -108.71 78.77 0.95 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -46.12 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.415 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -51.56 -53.49 37.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 95.7 m -44.61 -50.67 9.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.22 -172.62 31.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -121.83 -29.52 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 115' ' ' PHE . 6.3 tp -79.33 116.46 19.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.22 155.5 46.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.5 mp -120.86 118.92 31.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.2 ptt85 -111.77 143.66 29.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.602 0.715 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.461 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.8 Cg_endo -69.66 124.06 10.75 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.804 -179.836 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.1 t -128.37 140.42 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.784 0.326 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 m -104.61 159.47 15.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t -125.2 118.46 52.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.6 m -104.19 121.55 43.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.1 p -137.99 136.91 37.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -136.08 145.14 45.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -167.84 172.56 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.6 ttm -69.19 97.99 0.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.427 ' O ' ' CG2' ' A' ' 69' ' ' THR . 2.8 t-80 -108.95 123.74 49.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 55.94 28.24 12.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.42 17.49 76.23 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.52 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.427 ' CG2' ' O ' ' A' ' 66' ' ' HIS . 14.8 t -126.58 162.11 26.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -98.44 118.29 34.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.8 p -148.99 144.99 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.8 t -108.42 120.68 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -93.88 164.73 12.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -145.37 150.37 36.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -136.26 157.34 47.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.62 140.15 52.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.3 t -114.63 135.54 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 79' ' ' ARG . 32.6 tptt -87.67 149.95 23.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.427 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 17.0 tpt85 -114.48 107.14 15.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -147.77 114.9 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.55 -169.48 33.34 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 2.71 3.25 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.17 151.66 43.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -116.39 119.52 35.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -94.26 122.69 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.426 HD13 ' CD1' ' A' ' 103' ' ' TYR . 16.7 mt -65.23 127.25 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -68.09 74.32 0.21 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.782 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -134.95 -176.96 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -39.84 -48.7 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -120.93 141.48 32.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.528 0.68 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 89.18 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -83.05 102.75 11.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.6 p -75.84 156.57 34.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 27.3 p -146.95 -177.19 5.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.6 t -100.61 -39.03 8.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.178 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.9 t -147.58 -175.18 4.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.93 -38.71 72.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.53 -52.83 52.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.67 -46.21 49.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 94.8 t -46.29 -53.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.8 t -49.39 -46.41 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -57.33 -36.26 70.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.426 ' CD1' HD13 ' A' ' 86' ' ' ILE . 42.9 t80 -64.56 -31.38 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -82.09 -46.93 13.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.974 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.4 t -45.39 -26.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.5 t -82.39 -68.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -43.8 -53.04 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.3 p -58.66 -177.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -40.78 151.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.49 ' N ' ' HD3' ' A' ' 109' ' ' LYS . 15.2 ttmt -33.05 -34.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 109' ' ' LYS . . . -154.28 130.19 10.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.2 tp -119.68 134.54 55.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.6 t -85.8 124.36 71.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.665 0.745 . . . . 0.0 111.136 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 160.85 48.17 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 46' ' ' LEU . 12.0 t80 -108.89 120.55 42.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.4 tp -137.34 130.99 31.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.1 tt -121.76 102.59 8.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.815 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.93 0.395 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -144.13 149.56 45.77 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 0.0 111.147 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.76 55.84 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.391 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 m -55.44 -48.17 74.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.7 p -45.23 -42.6 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 36.4 t80 -43.76 154.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.503 HD23 ' CD1' ' A' ' 115' ' ' PHE . 0.3 OUTLIER -152.23 153.58 34.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -102.43 104.74 15.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 m -148.54 174.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.181 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 t -79.27 160.93 26.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -59.39 -47.04 86.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 mp -76.07 -24.02 55.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 33' ' ' ALA . 29.0 mt-10 -72.92 -59.42 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -34.59 -48.77 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.32 -66.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.427 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -56.61 -32.86 65.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tp -43.61 -22.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 63' ' ' ARG . 77.6 mt -77.92 -55.11 5.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.65 -26.51 9.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -84.37 -40.67 17.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -126.31 59.49 31.5 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.02 29.95 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.636 2.224 . . . . 0.0 112.313 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -93.57 -16.98 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 p -79.99 -32.41 39.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.52 -179.95 24.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -125.02 -26.46 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.375 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 tp -81.39 90.02 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.403 ' HB3' ' CB ' ' A' ' 115' ' ' PHE . 1.7 pp -115.37 148.49 39.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.2 mp -120.3 110.57 16.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.433 ' NH1' ' C ' ' A' ' 60' ' ' VAL . 0.1 OUTLIER -99.16 151.24 37.32 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.593 0.711 . . . . 0.0 110.864 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 124.04 10.71 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.687 2.258 . . . . 0.0 112.374 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.799 -179.832 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.241 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.7 t -139.47 147.7 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 49' ' ' ARG . 31.0 m -111.75 159.18 18.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.433 ' C ' ' NH1' ' A' ' 49' ' ' ARG . 48.1 t -133.56 124.05 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.1 m -108.11 112.17 24.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.166 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.6 p -119.24 127.02 52.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.467 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . 4.2 tmm_? -111.26 83.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -86.92 155.86 20.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.4 ttm -102.39 125.62 49.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -122.89 103.41 8.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.36 31.35 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.01 43.87 32.1 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 t -127.3 154.66 44.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 111.151 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.475 ' CG ' ' O ' ' A' ' 70' ' ' HIS . 1.6 p80 -99.22 122.42 42.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 72' ' ' VAL . 96.7 t -149.45 134.75 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.417 ' N ' HG13 ' A' ' 71' ' ' VAL . 82.5 t -108.32 104.98 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -94.24 140.59 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -122.02 131.89 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -109.84 141.04 43.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.987 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 77' ' ' VAL . 28.2 tptt -108.76 156.37 19.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.42 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 98.2 t -133.36 122.35 44.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 145.38 29.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -95.21 109.86 21.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -129.79 83.68 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.06 -157.19 36.89 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.43 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -2.32 9.96 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 pttm -114.53 170.88 7.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -123.0 109.99 14.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.8 t -86.55 124.79 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 103' ' ' TYR . 6.1 mt -67.81 145.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -92.82 65.35 4.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 89' ' ' GLU . 17.4 m -130.41 -178.56 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.056 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' VAL . 24.5 tp10 -36.42 -60.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -106.7 135.49 19.52 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.576 0.703 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 86.39 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.627 2.218 . . . . 0.0 112.373 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.728 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 50.5 t80 -81.02 109.93 16.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.0 p -81.98 151.65 27.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 17.5 p -141.23 -175.31 4.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.9 t -109.33 -29.13 8.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.6 p -163.66 176.21 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.3 mt -58.66 -34.02 70.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -52.82 -44.63 66.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.0 -50.03 70.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.3 t -45.05 -56.2 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.6 t -46.83 -42.04 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.17 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -69.81 -45.99 66.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.728 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 55.6 t80 -46.74 -45.06 19.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -67.02 -40.95 87.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 89.9 t -58.44 -50.96 76.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 t -72.35 -48.38 42.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -43.84 -54.64 5.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 67.5 p -82.19 144.74 30.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -70.39 -67.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -41.92 163.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.63 109.69 19.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.099 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.0 tp -91.51 111.14 22.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.5 t -85.39 123.03 73.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.66 0.743 . . . . 0.0 111.065 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 144.58 54.29 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.722 2.281 . . . . 0.0 112.321 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.503 ' CD1' HD23 ' A' ' 26' ' ' LEU . 1.8 t80 -83.65 114.0 21.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.7 tp -122.86 138.41 54.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.87 117.53 22.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.966 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.908 0.385 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -110.02 152.64 43.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 111.134 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 159.61 52.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.635 2.223 . . . . 0.0 112.325 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.5 p -61.8 -38.57 88.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.0 m -53.88 -24.33 15.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.818 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 3.5 t80 -76.07 150.2 37.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.614 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -152.36 156.22 39.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -98.38 105.2 17.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -153.36 154.82 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.411 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 1.6 m -54.07 161.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.819 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.464 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -71.04 -26.31 63.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.87 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.413 ' HG ' ' NH1' ' A' ' 30' ' ' ARG . 11.6 mt -87.56 -20.86 25.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 35' ' ' LEU . 22.7 mt-10 -80.73 -58.68 2.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -36.5 -35.69 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -66.76 -44.29 81.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -66.79 -40.03 88.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.5 mt -47.36 -29.95 2.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.4 mt -65.47 -67.21 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -50.98 -26.29 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.555 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 48.3 mmt-85 -71.73 -50.28 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.817 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 2.8 m-85 -125.08 80.49 64.17 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.69 0.757 . . . . 0.0 110.927 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -47.19 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.632 2.221 . . . . 0.0 112.399 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.49 -37.83 63.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.65 -46.97 83.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 154.49 -178.73 31.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.539 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -122.67 -29.52 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 115' ' ' PHE . 6.7 tp -78.94 126.24 30.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.406 HD11 ' N ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -151.21 163.47 38.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.837 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.406 ' N ' HD11 ' A' ' 47' ' ' LEU . 6.9 mp -124.83 124.58 42.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.464 ' CD ' ' HA ' ' A' ' 30' ' ' ARG . 41.6 ptt85 -118.35 151.49 49.54 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.646 0.736 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 123.21 9.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.356 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.876 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 p -141.11 133.52 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 111.093 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.417 ' OG ' ' CG ' ' A' ' 49' ' ' ARG . 4.7 p -88.33 159.45 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.3 t -125.06 93.66 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.9 m -82.74 116.9 22.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.7 p -127.65 124.66 38.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -119.21 83.49 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 65' ' ' MET . 4.9 tp60 -92.63 144.74 25.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.457 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 2.4 ttt -72.88 112.24 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -126.62 145.0 50.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 m120 43.08 34.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 51.59 43.77 53.4 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.428 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -140.22 165.73 26.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 111.118 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -95.3 104.85 16.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.4 t -129.38 132.83 66.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.12 131.61 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -119.1 160.46 22.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -140.59 130.8 24.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -114.45 146.17 40.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 77' ' ' VAL . 6.9 tmtm? -105.42 143.32 33.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.414 ' N ' ' HD3' ' A' ' 76' ' ' LYS . 92.3 t -117.72 122.29 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 79' ' ' ARG . 12.0 ttmm -86.56 153.8 21.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.462 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -111.3 108.24 17.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -134.72 104.13 5.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.53 -157.36 53.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -0.41 6.85 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.362 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -126.81 156.24 41.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -117.28 121.44 41.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.0 t -91.55 138.09 20.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.64 ' CD1' ' CD1' ' A' ' 103' ' ' TYR . 25.0 mt -81.96 135.63 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.31 76.26 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.0 m -142.02 178.12 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 88' ' ' VAL . 14.5 mt-10 -35.03 -56.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -110.79 130.48 22.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 88.19 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.659 2.239 . . . . 0.0 112.428 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.665 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 73.8 t80 -81.04 121.53 26.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 90.8 p -77.92 146.18 35.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 24.7 m -137.29 114.83 11.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.06 -36.49 65.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.1 m -155.62 172.11 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 26.0 mt -56.91 -30.45 63.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.58 -43.33 75.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.16 -55.38 25.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.059 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.1 t -38.24 -53.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 41.1 t -51.8 -48.66 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -64.12 -54.75 29.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.665 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 8.3 t80 -43.45 -44.99 6.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -70.68 -43.41 69.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 37.1 t -45.04 -45.76 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.6 t -90.39 -47.69 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.779 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 108' ' ' THR . 81.9 t60 -48.92 -64.69 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 107' ' ' HIS . 40.9 p -36.06 -64.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -149.67 -178.13 6.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -46.35 -37.95 8.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -165.57 132.09 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 46' ' ' LEU . 7.4 tp -125.58 160.27 30.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.7 t -113.3 128.63 25.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.676 0.75 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 164.29 35.12 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' LEU . 33.8 t80 -115.98 122.05 44.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 16.4 tp -128.63 149.07 50.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.29 107.75 6.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.861 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.885 0.374 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -137.38 148.85 63.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.612 0.72 . . . . 0.0 111.212 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 146.9 61.83 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.312 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.2 m -48.73 -40.29 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 p -47.48 -43.41 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 67.7 t80 -50.05 152.97 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.48 152.39 31.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -90.91 104.94 17.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 m -150.87 163.1 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -76.56 -176.94 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -66.09 -43.12 88.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' GLN . 11.1 mt -81.73 -52.3 7.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -36.75 -39.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.21 -45.19 61.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' LEU . 15.9 tt0 -55.74 -37.78 68.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.63 -24.17 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 mt -67.85 -20.74 65.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.6 mt -76.08 -67.12 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -54.25 -30.8 51.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -70.85 -38.46 73.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -131.17 70.18 82.3 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.681 0.753 . . . . 0.0 110.915 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -37.37 9.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.238 . . . . 0.0 112.386 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.05 -27.14 68.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -85.59 37.93 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.74 179.98 46.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -132.92 -52.62 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 110.864 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.9 tp -50.07 89.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.6 OUTLIER -114.19 143.17 45.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.3 mp -108.88 119.27 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 -116.6 136.84 23.25 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.4 Cg_endo -69.79 125.01 11.63 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.874 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.2 m -107.21 177.21 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 111.056 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -104.41 143.4 33.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.84 115.13 46.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.441 HG21 ' CE1' ' A' ' 74' ' ' HIS . 29.5 m -97.25 113.29 24.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.9 p -125.68 131.67 52.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -110.46 92.29 3.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -95.65 -175.5 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.6 mtp -126.28 107.58 10.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -122.57 127.98 50.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 t30 67.18 27.37 8.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.24 39.34 97.06 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -140.83 160.03 40.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 0.0 111.147 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 70' ' ' HIS . 5.3 p80 -83.17 116.2 22.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.0 m -122.5 147.88 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.431 HG11 ' CE1' ' A' ' 74' ' ' HIS . 58.4 t -133.69 111.3 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.77 134.4 55.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.441 ' CE1' HG21 ' A' ' 61' ' ' THR . 19.7 m-70 -114.21 116.69 29.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -84.01 145.9 28.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -112.67 127.99 56.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.5 t -94.21 107.08 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -62.64 160.84 13.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.421 ' C ' ' HD2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -113.51 111.93 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.28 79.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.15 -150.98 43.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 -0.85 7.59 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.687 2.258 . . . . 0.0 112.295 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -112.35 159.82 18.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.935 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -115.72 111.86 21.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.9 t -90.6 132.95 33.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.5 mt -83.79 155.14 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -96.44 71.53 2.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.4 m -138.23 172.8 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -38.19 -50.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -105.18 130.39 23.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.558 0.694 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 85.5 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.374 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.571 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 80.8 t80 -89.67 116.59 27.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.4 p -102.92 166.79 10.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.54 ' SG ' ' CE2' ' A' ' 92' ' ' PHE . 38.1 m -159.06 161.64 36.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.9 p -83.89 -48.53 9.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 80.0 p -116.04 165.68 12.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 98' ' ' ASP . 13.5 mt -64.83 -48.95 72.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -37.81 -61.92 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -42.44 -43.68 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.4 t -56.32 -46.25 81.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 47.4 t -55.97 -41.86 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -65.35 -55.2 19.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.571 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 30.8 t80 -39.56 -65.48 0.38 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 103' ' ' TYR . 10.1 m-85 -35.55 -56.29 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 62.0 t -39.64 -54.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.0 t -70.47 -45.59 65.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 76.4 t60 -45.87 -56.58 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.5 p -54.54 -174.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.29 7.36 9.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.52 169.58 14.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.06 97.69 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.6 mt -93.17 157.12 16.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 114' ' ' PRO . 95.5 t -129.62 138.9 34.14 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.596 0.712 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 113' ' ' VAL . 54.3 Cg_endo -69.76 147.82 63.73 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.679 2.253 . . . . 0.0 112.394 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 5.5 t80 -101.37 138.44 38.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 58.5 tp -147.87 158.4 44.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.401 HD12 ' C ' ' A' ' 117' ' ' LEU . 0.5 OUTLIER -137.69 117.91 13.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 179.86 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.952 0.406 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.421 HG21 ' CD1' ' A' ' 97' ' ' LEU . 1.1 p -146.22 148.33 34.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.518 0.675 . . . . 0.0 111.213 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 146.03 59.14 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.73 2.287 . . . . 0.0 112.386 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.3 m -46.78 -49.04 20.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.3 p -42.02 -43.95 3.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -49.38 152.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 115' ' ' PHE . 0.3 OUTLIER -152.42 151.72 31.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -92.38 104.83 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.56 175.04 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.095 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.8 p -86.73 160.54 18.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -57.8 -21.28 41.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.0 mt -87.34 -55.99 3.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -48.05 -58.31 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -34.06 -38.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -67.96 -51.52 46.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -56.17 -41.47 75.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.517 HD23 ' CZ ' ' A' ' 115' ' ' PHE . 2.5 mp -50.91 -26.57 6.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.7 mt -74.62 -66.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -54.97 -35.87 64.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.565 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 6.3 mmm-85 -73.76 -51.25 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -119.13 76.59 15.86 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.674 0.75 . . . . 0.0 110.93 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -45.97 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.588 2.192 . . . . 0.0 112.363 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -54.97 -39.49 69.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.2 m -52.01 -43.82 63.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.35 178.49 23.53 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.06 -38.68 2.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.379 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.5 tp -74.67 92.11 2.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.02 134.63 54.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.3 mp -101.87 119.33 38.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.408 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 41.8 ptt85 -115.57 152.28 47.01 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.634 0.73 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 148.04 64.5 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.65 2.233 . . . . 0.0 112.414 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.6 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.807 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.9 t -139.77 138.85 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 111.061 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.6 t -107.64 146.21 32.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -119.1 116.43 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.5 m -97.73 128.71 44.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 79.4 p -135.38 124.73 24.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.404 ' NH2' ' HB3' ' A' ' 70' ' ' HIS . 13.0 tpt85 -105.77 100.97 10.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -105.97 178.05 4.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.1 tpt -115.34 110.0 18.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -132.48 148.43 52.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.78 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 39.3 41.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 43.06 42.81 5.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.3 t -140.31 148.14 40.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 111.117 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.404 ' HB3' ' NH2' ' A' ' 63' ' ' ARG . 6.9 p80 -75.97 112.07 12.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.48 139.48 51.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.4 t -127.65 120.22 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.42 ' HD3' ' N ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -109.51 145.01 36.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' A' ' 74' ' ' HIS . 1.8 p80 -128.04 105.73 8.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.416 ' CZ ' ' HD2' ' A' ' 73' ' ' ARG . 98.3 m-85 -81.13 141.01 34.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -103.14 160.66 14.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 78.2 t -129.95 132.62 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -100.49 151.46 21.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -96.63 97.89 9.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.27 85.24 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.15 -153.16 49.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -3.51 12.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.749 2.299 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.38 166.56 13.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -117.32 138.79 51.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.0 m -109.23 134.57 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.505 ' CD1' ' CD1' ' A' ' 103' ' ' TYR . 52.6 mt -79.89 154.0 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.4 64.56 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 89' ' ' GLU . 30.0 m -131.81 179.54 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' VAL . 4.5 tt0 -34.36 -58.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -114.25 143.06 29.05 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 85.01 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.403 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.575 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 30.3 t80 -66.44 106.38 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.5 p -75.92 143.58 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.1 p -145.9 141.8 28.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 96' ' ' SER . 10.0 t -66.35 -41.9 88.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.447 ' N ' HG23 ' A' ' 95' ' ' THR . 70.7 m -143.13 176.48 9.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.798 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.421 ' CD1' HG21 ' A' ' 21' ' ' THR . 9.5 mt -61.93 -45.05 95.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 97' ' ' LEU . 1.5 t70 -38.24 -55.61 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -50.65 -52.94 35.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 99.9 t -41.43 -50.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 69.4 t -52.72 -49.75 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -60.64 -43.14 97.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.575 ' CD2' ' CD1' ' A' ' 92' ' ' PHE . 56.3 t80 -52.09 -51.44 57.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -61.94 -55.39 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 94.7 t -39.27 -48.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.7 t -76.64 -54.13 7.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -44.29 -62.25 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.8 t -46.56 148.75 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -67.69 -60.59 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.33 157.78 26.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.41 88.49 6.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.163 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.1 mp -68.2 139.78 56.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 18.3 t -94.05 131.18 32.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.634 0.73 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.89 130.66 19.56 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.292 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.569 ' CD1' HD22 ' A' ' 26' ' ' LEU . 3.3 t80 -80.69 127.44 32.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.9 tp -143.24 144.67 32.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tt -130.48 109.91 11.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.986 0.422 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 p -140.75 151.83 64.14 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.568 0.699 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 134.45 27.9 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.729 2.286 . . . . 0.0 112.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.7 m -38.91 -51.18 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.9 p -40.11 -44.47 1.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -45.98 153.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.29 151.12 30.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.5 104.99 17.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 m -152.29 170.79 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.179 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.8 m -81.01 165.3 21.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 4.6 ptp180 -50.87 -34.56 28.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 32' ' ' GLU . 12.9 mt -85.84 -53.81 4.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' LEU . 15.8 mm-40 -37.44 -40.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.29 -48.45 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.076 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -57.15 -52.25 66.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.408 HD12 ' C ' ' A' ' 35' ' ' LEU . 1.9 pp -63.06 -31.57 72.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.62 -32.88 74.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.436 ' CD2' HD23 ' A' ' 47' ' ' LEU . 95.3 mt -72.37 -65.78 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 8.4 pt-20 -40.09 -34.54 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 28.1 mtt85 -73.76 -51.02 17.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -114.08 76.52 3.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.689 0.757 . . . . 0.0 110.974 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -45.47 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.657 2.238 . . . . 0.0 112.337 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -61.67 -46.12 91.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 m -45.74 -55.96 5.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.59 157.53 17.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.437 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -115.31 -39.47 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.797 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.8 97.51 3.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.956 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.436 HD23 ' CD2' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -117.83 148.24 42.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mp -114.49 115.92 28.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.427 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 6.5 ptm180 -113.35 145.19 32.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.83 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 130.57 19.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.719 2.28 . . . . 0.0 112.35 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.79 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.0 t -119.76 145.02 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m -114.19 150.11 34.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.4 t -115.69 123.22 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.4 m -112.15 117.99 34.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.184 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.6 p -115.09 142.11 47.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.09 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.54 85.03 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -98.89 140.03 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 8.4 tpt -84.62 107.23 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 67' ' ' ASN . 3.7 t-160 -69.81 -178.88 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' HIS . 6.0 t-20 -33.66 -39.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -177.42 35.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.449 ' CG2' ' HB3' ' A' ' 66' ' ' HIS . 6.1 t -141.32 155.41 45.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 111.167 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -100.43 103.96 15.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.3 t -118.82 133.53 65.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.4 t -119.53 119.89 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -98.15 171.62 8.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -145.1 135.97 24.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -126.6 160.76 29.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -129.51 164.02 24.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.2 t -133.37 144.7 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.191 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -107.86 175.48 5.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.74 93.63 4.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -117.32 85.28 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.23 -155.52 51.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 3.02 3.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.246 . . . . 0.0 112.307 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.7 154.86 43.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -111.52 144.13 41.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.1 m -119.52 115.5 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.2 mt -55.71 151.48 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.93 59.74 5.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' GLU . 10.7 m -126.79 168.48 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' VAL . 49.9 mm-40 -36.62 -45.9 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -113.32 124.67 30.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 86.36 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -66.78 102.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.1 m -88.36 130.71 35.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 28.6 p -137.26 -179.73 5.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.1 t -73.92 -38.56 64.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.4 p -168.13 165.88 13.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 98' ' ' ASP . 15.9 mt -39.57 -42.65 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' LEU . 33.3 t70 -36.41 -49.56 0.72 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.28 -50.15 72.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.065 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.8 t -43.37 -53.24 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.7 t -44.93 -46.05 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -74.2 -43.1 58.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -48.8 -46.06 41.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.987 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -61.37 -52.75 63.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 87.8 t -49.05 -61.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.185 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.3 t -58.74 -51.26 70.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -43.96 -58.62 2.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.42 ' CG2' HD13 ' A' ' 112' ' ' LEU . 81.5 p -65.49 135.75 55.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -51.75 -33.73 36.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -94.86 158.84 15.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.807 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -83.01 98.02 9.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.42 HD13 ' CG2' ' A' ' 108' ' ' THR . 84.9 mt -69.95 107.04 3.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.5 t -76.62 132.12 72.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.562 0.696 . . . . 0.0 111.148 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 151.93 69.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -106.7 133.71 50.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 41.5 tp -140.11 147.38 40.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -145.02 111.31 5.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.868 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.026 0.441 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -132.03 150.45 76.13 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.655 0.741 . . . . 0.0 111.086 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.06 15.16 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 t -74.99 -37.25 61.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -57.73 -37.13 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -55.43 146.82 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.56 153.13 32.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -93.63 104.8 16.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.3 m -150.38 171.75 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 m -95.97 144.31 26.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 27.8 ptt180 -42.41 -42.1 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.431 ' CD2' ' H ' ' A' ' 31' ' ' LEU . 2.0 mm? -51.34 -57.71 8.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 35' ' ' LEU . 15.3 mm-40 -66.44 -61.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -33.84 -38.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 32' ' ' GLU . 6.0 tt0 -64.94 -48.51 73.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -77.38 -19.23 56.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.94 -20.08 64.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.1 mt -75.25 -58.47 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -37.75 72.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -60.69 -56.05 25.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -116.3 78.14 7.94 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.664 0.745 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -50.15 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.629 2.219 . . . . 0.0 112.358 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -51.28 -28.57 12.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.4 m -84.34 35.69 0.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.79 -176.07 11.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -128.82 -29.46 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 115' ' ' PHE . 10.9 tp -64.19 98.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 115' ' ' PHE . 0.7 OUTLIER -123.55 153.85 40.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.998 179.867 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.1 mp -115.8 123.63 48.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.4 ptt85 -122.59 147.5 50.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.561 0.696 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 127.34 14.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.879 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.8 p -145.33 143.13 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 111.1 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 m -95.99 155.0 16.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.27 108.79 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.9 m -89.61 112.62 23.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.1 p -122.6 118.77 28.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.2 ttp85 -108.88 92.17 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -82.64 -176.96 6.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.0 tpt -128.58 105.22 8.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 68' ' ' GLY . 4.0 t-160 -105.97 -173.9 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' HIS . 0.4 OUTLIER -33.32 93.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 66' ' ' HIS . . . 35.37 34.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.561 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.44 ' CG2' ' HB3' ' A' ' 66' ' ' HIS . 11.3 t -139.92 131.99 27.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.81 0.338 . . . . 0.0 111.189 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -96.9 107.67 20.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.88 145.07 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 68.1 t -124.36 96.72 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -96.99 153.72 17.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -128.08 121.67 30.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -108.25 121.57 45.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -93.43 140.2 29.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.1 t -113.42 115.37 49.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.156 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 85' ' ' VAL . 20.3 ttpt -69.48 156.98 38.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -108.14 128.43 54.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -150.02 105.85 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.01 -157.48 35.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.47 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 -6.97 19.82 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.792 2.328 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.9 pttm -110.42 152.64 26.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -102.04 140.9 35.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 78' ' ' LYS . 69.7 t -116.48 130.31 71.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.5 mt -86.67 142.19 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 4.7 t70 -89.01 66.09 7.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.46 ' O ' ' C ' ' A' ' 89' ' ' GLU . 4.1 m -132.97 -175.88 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 88' ' ' VAL . 2.9 pt-20 -33.25 -62.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -111.68 138.75 21.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.511 0.672 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 86.57 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.683 2.255 . . . . 0.0 112.285 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 103' ' ' TYR . 45.3 t80 -74.73 112.48 10.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.1 p -98.57 137.58 37.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.449 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . 21.5 p -126.65 -175.11 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.0 t -100.94 -14.74 17.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' LEU . 76.8 p -168.91 143.44 3.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' SER . 0.8 OUTLIER -32.89 -49.78 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 97' ' ' LEU . 9.7 t0 -36.22 -64.38 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 102' ' ' ASN . . . -38.94 -52.88 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.089 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.5 t -39.45 -44.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.183 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.02 -36.19 74.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 99' ' ' ALA . 16.3 m-80 -72.81 -39.77 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.475 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 60.1 t80 -44.06 -49.62 8.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 106' ' ' SER . 49.4 m-85 -59.9 -57.77 11.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 104' ' ' PHE . 98.8 t -35.86 -33.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 104' ' ' PHE . 1.7 t -90.29 -52.99 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 107' ' ' HIS . 1.9 t60 -50.11 -52.46 34.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 107' ' ' HIS . 6.9 t -34.27 131.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 110' ' ' LYS . 20.4 ptmt -43.69 -45.59 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 109' ' ' LYS . 10.2 mmmt -116.85 -69.76 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -163.34 174.87 11.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 tp -162.35 110.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 91.2 t -77.13 134.41 67.64 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.66 0.743 . . . . 0.0 111.108 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.23 19.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.256 . . . . 0.0 112.39 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 46' ' ' LEU . 18.7 t80 -118.99 113.91 21.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.3 tp -126.21 143.09 51.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.55 106.8 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.98 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.903 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.884 0.373 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -123.91 149.13 58.92 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.57 0.7 . . . . 0.0 111.146 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 157.36 60.8 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 m -56.75 -48.56 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.6 p -40.28 -45.22 2.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.563 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 6.6 t80 -46.96 148.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -152.53 152.15 31.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -90.79 104.82 17.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 m -151.86 166.26 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.0 m -89.42 151.81 21.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -38.74 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -60.31 -46.88 88.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 34' ' ' GLN . 14.1 mm-40 -68.5 -64.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -34.06 -33.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' GLU . 38.1 tt0 -73.17 -68.05 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.42 ' C ' HD13 ' A' ' 35' ' ' LEU . 3.2 pp -52.35 -26.69 12.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.36 -26.66 63.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.3 mt -72.1 -60.31 2.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 8.5 pt-20 -62.07 -38.43 88.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 15.5 mtp85 -59.48 -54.3 48.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -117.0 81.01 11.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.637 0.732 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 -36.2 11.13 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.339 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -67.79 -54.22 20.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.1 m -39.47 -46.17 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 154.77 -175.9 32.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -132.32 -32.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.471 ' HB2' ' CD2' ' A' ' 112' ' ' LEU . 10.5 tp -78.79 90.77 4.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.16 157.84 20.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.8 mp -124.49 115.8 21.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.06 140.61 37.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.549 0.69 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.563 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.72 132.91 24.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.886 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 59' ' ' SER . 7.8 p -136.51 158.1 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 111.191 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 58' ' ' VAL . 1.8 m -111.17 156.99 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.33 121.84 68.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 m -102.69 106.0 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.0 p -121.94 139.35 53.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.7 ttp85 -131.75 92.37 3.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.8 mp0 -90.68 154.37 19.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.4 tpt -79.93 121.47 25.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -148.33 143.68 27.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.819 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 44.47 41.09 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 43.68 38.45 4.25 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.5 t -139.74 156.0 47.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.84 0.352 . . . . 0.0 111.135 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -91.95 106.56 18.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.796 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.0 p -111.52 133.82 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.14 119.04 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -110.42 159.65 17.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -130.51 140.13 50.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -129.73 118.25 21.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -92.66 148.23 22.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.1 t -123.5 123.27 67.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.7 150.07 32.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -111.76 104.67 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -144.33 114.68 7.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.39 -165.35 54.34 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.445 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.89 2.02 3.99 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.606 2.204 . . . . 0.0 112.284 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.01 167.04 18.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -126.62 107.84 10.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.0 m -79.47 115.11 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.081 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.486 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 64.8 mt -56.65 153.31 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.451 ' N ' HG22 ' A' ' 86' ' ' ILE . 3.3 t70 -87.7 64.34 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 89' ' ' GLU . 2.1 m -127.84 178.3 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' VAL . 0.5 OUTLIER -34.12 -47.65 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -124.19 140.21 34.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 91.94 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.738 ' CD2' ' CD1' ' A' ' 103' ' ' TYR . 34.4 t80 -74.85 102.57 4.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.1 p -71.24 116.18 11.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.804 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 26.6 p -114.21 131.04 56.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.0 p -59.15 -36.07 74.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 t -153.04 179.07 9.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.12 -45.2 86.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.33 -49.04 9.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -54.3 -38.77 66.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.9 t -52.97 -45.16 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 66.0 t -57.28 -34.33 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -82.06 -22.83 36.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.738 ' CD1' ' CD2' ' A' ' 92' ' ' PHE . 90.6 t80 -54.3 -51.34 64.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -73.69 -37.49 65.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.6 t -42.8 -52.52 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.201 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -58.39 -67.24 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.809 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.444 ' NE2' ' O ' ' A' ' 103' ' ' TYR . 2.8 m-70 -41.44 -68.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 109' ' ' LYS . 72.4 p -36.84 155.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 108' ' ' THR . 15.0 tptt -33.29 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.29 -52.91 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -175.12 159.79 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.056 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 46' ' ' LEU . 9.8 tp -116.75 115.27 25.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.57 119.09 29.97 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.561 0.696 . . . . 0.0 111.222 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.98 18.59 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.71 2.273 . . . . 0.0 112.306 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -79.17 140.5 37.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.5 tp -147.44 131.9 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.421 HD11 ' C ' ' A' ' 117' ' ' LEU . 0.4 OUTLIER -122.99 112.24 17.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.962 179.882 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.863 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.405 ' HG3' ' CG2' ' A' ' 21' ' ' THR . 4.7 pt-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.914 0.388 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.405 ' CG2' ' HG3' ' A' ' 20' ' ' GLU . 1.2 p -123.34 150.7 61.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.573 0.702 . . . . 0.0 111.092 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 146.94 61.27 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.688 2.258 . . . . 0.0 112.317 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.2 m -43.1 -48.01 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.3 m -38.26 -44.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.481 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 51.6 t80 -50.54 154.63 1.27 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.25 152.93 32.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -94.74 104.97 16.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 m -148.67 175.22 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.2 m -82.5 160.34 22.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 3.7 tmt_? -56.07 -42.37 76.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.82 -45.15 53.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -53.59 -60.21 3.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.89 -30.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -73.52 -45.73 51.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.411 ' C ' HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -70.04 -33.34 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.81 -16.61 1.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.54 -56.38 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.61 -31.7 70.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -73.8 -51.93 14.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -119.54 71.45 13.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 110.997 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -44.84 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -60.14 -26.71 66.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.7 m -65.48 -43.11 91.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.07 167.34 21.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -118.87 -27.95 5.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 tp -90.33 97.72 11.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.41 ' CB ' ' HB3' ' A' ' 115' ' ' PHE . 0.9 OUTLIER -116.81 157.2 25.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.977 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.8 mp -120.36 118.54 30.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.469 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 7.4 ptm180 -116.17 148.05 40.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.662 0.744 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.481 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.9 150.61 67.59 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.284 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.84 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.2 m -102.83 170.44 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -112.44 139.3 48.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.4 t -99.57 128.97 50.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 60.8 m -110.52 105.42 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.8 p -119.4 138.13 53.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -123.24 95.67 4.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.92 140.81 31.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.2 tpt -73.55 98.37 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -121.32 142.91 49.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 45.34 28.89 0.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 54.87 36.81 60.71 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.422 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.402 HG21 ' CG2' ' A' ' 71' ' ' VAL . 5.1 t -139.7 135.47 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.925 0.393 . . . . 0.0 111.163 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -62.83 119.41 9.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.826 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.402 ' CG2' HG21 ' A' ' 69' ' ' THR . 46.4 t -135.68 131.42 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 62.1 t -115.34 115.13 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.9 tpt85 -99.67 134.99 41.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -111.04 129.87 55.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -115.64 126.53 54.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -93.19 131.52 38.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.972 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.6 t -95.58 115.86 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -63.31 179.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.1 tpt85 -142.21 106.68 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -144.11 113.95 7.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 56.8 -159.98 8.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.533 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 2.5 3.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -122.64 169.55 10.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -119.7 173.63 6.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 t -142.18 131.1 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.4 mt -76.25 154.95 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -89.52 43.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 18.9 m -111.36 -179.8 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -40.72 -64.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -97.26 133.37 24.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.611 0.719 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 81.02 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -65.49 124.63 22.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.4 p -97.88 145.94 25.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.404 ' SG ' ' CG2' ' A' ' 100' ' ' VAL . 13.1 p -145.71 160.79 41.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.813 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.1 p -80.97 -40.4 24.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -146.86 155.15 42.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.4 mt -43.55 -38.61 3.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.89 -59.55 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.22 -49.9 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.404 ' CG2' ' SG ' ' A' ' 94' ' ' CYS . 71.6 t -45.78 -53.78 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.2 t -44.75 -45.12 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -68.93 -48.75 62.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -38.93 -50.04 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.995 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -63.77 -43.98 94.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 70.2 t -49.23 -34.62 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.6 t -87.36 -56.65 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' A' ' 107' ' ' HIS . 2.3 t60 -43.58 -53.34 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.6 t -47.12 136.43 8.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 110' ' ' LYS . 4.6 ptmm? -47.85 -43.75 28.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 111' ' ' ALA . 18.4 mtpp -122.95 123.37 40.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 110' ' ' LYS . . . -34.59 113.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.049 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.3 tp -91.12 157.57 17.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.1 t -106.04 133.02 20.41 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.651 0.739 . . . . 0.0 111.148 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 165.33 31.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.342 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.41 ' HB3' ' CB ' ' A' ' 47' ' ' LEU . 60.0 t80 -111.11 133.77 53.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.1 tp -148.54 134.36 18.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.91 108.9 12.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.942 0.401 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 p -143.65 152.33 55.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.594 0.711 . . . . 0.0 111.118 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 155.11 66.75 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.266 . . . . 0.0 112.358 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -54.64 -53.92 48.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.9 m -40.01 -41.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -45.48 152.5 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.18 154.85 36.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' CD ' ' HG3' ' A' ' 50' ' ' PRO . 27.6 mmtp -99.19 104.74 16.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.408 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 3.7 m -148.05 173.55 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.6 m -85.39 148.95 25.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 10.4 ptp85 -44.61 -46.13 9.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 22.8 mt -71.63 -39.2 70.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 35' ' ' LEU . 44.6 mt-10 -60.47 -60.33 3.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -34.59 -37.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.45 -46.1 74.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -57.98 -31.45 66.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 115' ' ' PHE . 2.5 mp -72.35 -32.82 66.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' CD2' HD22 ' A' ' 47' ' ' LEU . 75.8 mt -56.4 -41.74 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -88.33 -47.25 8.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.494 ' HD2' ' CD1' ' A' ' 35' ' ' LEU . 6.5 mtt85 -51.05 -49.08 61.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.561 ' CE2' HD11 ' A' ' 117' ' ' LEU . 8.8 m-85 -109.9 80.95 1.87 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 110.914 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -19.17 36.25 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 43' ' ' CYS . 16.7 pt-20 -83.46 -46.44 12.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 69.3 m -44.43 -56.11 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 149.28 -171.13 29.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -119.35 -41.86 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.72 90.91 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.461 ' HB3' ' CB ' ' A' ' 115' ' ' PHE . 1.4 pp -117.73 138.13 52.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mp -97.83 129.97 44.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.455 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 8.8 ptm180 -121.92 152.42 59.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.608 0.718 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.45 ' HG3' ' CD ' ' A' ' 27' ' ' LYS . 54.2 Cg_endo -69.74 126.67 13.59 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.863 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 59' ' ' SER . 86.9 t -138.29 140.32 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.416 ' N ' HG11 ' A' ' 58' ' ' VAL . 5.0 m -111.8 160.51 17.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.9 t -121.75 136.6 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.17 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.0 m -120.06 122.1 40.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.4 p -128.85 142.83 50.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.155 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.4 tpp85 -103.8 88.21 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -112.28 129.21 56.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.4 ptm -90.86 136.11 33.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.463 ' O ' ' CG2' ' A' ' 69' ' ' THR . 73.5 t60 -129.42 159.32 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 41.69 33.02 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.51 41.04 99.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.439 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 66' ' ' HIS . 10.1 t -141.27 150.81 43.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 111.103 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.403 ' C ' HG22 ' A' ' 71' ' ' VAL . 79.8 m-70 -81.41 109.44 15.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.826 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.403 HG22 ' C ' ' A' ' 70' ' ' HIS . 67.8 t -139.71 135.49 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 83.9 t -105.99 138.53 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.177 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 12.3 tpt180 -117.83 150.14 39.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.443 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 22.4 p80 -127.77 132.25 49.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -108.91 162.15 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -129.3 153.64 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.4 t -130.0 120.99 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 79' ' ' ARG . 44.0 tttt -87.2 151.41 23.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.447 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 5.0 tmm_? -103.25 114.35 28.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -129.15 92.39 3.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.68 -157.47 39.92 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.522 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -6.05 17.67 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.51 162.38 19.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.401 ' C ' HG21 ' A' ' 85' ' ' VAL . 26.7 m-85 -99.86 163.02 12.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.401 HG21 ' C ' ' A' ' 84' ' ' TYR . 90.6 t -140.68 111.59 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.7 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 73.0 mt -61.37 150.07 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -93.29 52.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.478 ' CG1' HG22 ' A' ' 86' ' ' ILE . 30.8 m -117.49 -179.35 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' VAL . 48.7 mt-10 -34.17 -59.04 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -110.99 139.04 21.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 85.96 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 103' ' ' TYR . 78.9 t80 -70.82 114.06 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 86.4 p -92.74 141.99 27.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.2 p -143.78 160.72 40.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.0 p -85.36 -23.55 27.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.4 m -156.16 163.99 38.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 100' ' ' VAL . 13.8 mt -55.74 -46.05 77.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 97' ' ' LEU . 1.6 m-20 -37.15 -50.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -54.2 -42.59 69.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 97' ' ' LEU . 67.0 t -46.02 -53.77 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 78.2 t -49.23 -42.4 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -67.84 -46.31 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.7 ' CD2' ' CD1' ' A' ' 86' ' ' ILE . 69.0 t80 -43.56 -53.58 5.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -63.66 -53.43 51.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 89.7 t -40.27 -50.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.6 t -76.16 -44.07 39.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -44.48 -64.06 0.77 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.0 t -61.61 157.54 17.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.169 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 -21.7 23.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -91.15 162.12 14.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.22 81.1 5.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.88 163.63 7.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.3 t -124.44 128.07 25.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.618 0.723 . . . . 0.0 111.139 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 148.19 64.8 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.607 2.205 . . . . 0.0 112.386 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 36' ' ' LEU . 2.7 t80 -92.75 111.96 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.6 tp -131.17 138.44 49.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 40' ' ' TYR . 2.3 tt -132.3 105.91 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.8 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.79 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.018 0.437 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 p -144.16 152.81 55.4 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.543 0.687 . . . . 0.0 111.104 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 143.66 51.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.614 2.21 . . . . 0.0 112.399 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.8 p -44.38 -52.71 7.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.8 p -42.87 -39.22 2.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -46.96 150.07 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.441 HD21 ' CD2' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -152.35 155.74 38.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -101.24 104.77 15.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 3.9 m -146.69 174.36 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 t -81.12 -176.24 5.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 26.6 ptt180 -69.3 -49.84 52.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.6 mt -74.29 -39.08 63.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.01 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -50.86 -63.77 1.02 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . . . -39.58 -40.87 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -59.51 -70.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.453 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 1.1 pp -51.33 -35.38 37.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.491 HD22 ' CE1' ' A' ' 115' ' ' PHE . 4.3 tp -49.85 -24.73 2.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.2 mt -71.66 -64.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -58.64 -30.09 67.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' HG3' ' CD1' ' A' ' 35' ' ' LEU . 17.1 mmt180 -65.49 -51.04 62.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -125.84 73.38 70.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.684 0.754 . . . . 0.0 110.932 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -36.37 10.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -63.96 -26.9 68.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.9 m -87.3 35.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.26 178.03 50.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.04 -44.06 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.915 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 tp -58.04 89.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.33 135.81 52.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mp -97.65 121.39 39.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.405 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 7.0 ptm180 -114.27 139.73 24.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.609 0.719 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 153.44 68.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.749 2.299 . . . . 0.0 112.294 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.849 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.79 160.11 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 111.167 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.6 t -120.6 162.12 20.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.3 t -120.55 132.84 69.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.6 m -110.09 114.67 28.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.086 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.1 p -128.39 128.6 44.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -120.23 107.74 13.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -116.06 153.58 31.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.6 tpt -82.95 106.92 15.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -123.02 145.41 48.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 m120 41.32 43.13 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.04 41.43 6.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.543 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.0 t -140.12 164.92 28.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.817 0.341 . . . . 0.0 111.169 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -95.84 118.02 31.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.0 t -137.61 134.22 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.2 t -118.82 116.11 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.416 ' NH1' ' HA ' ' A' ' 75' ' ' TYR . 2.0 tmt_? -104.61 146.91 28.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -126.21 114.33 18.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.416 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 66.3 m-85 -88.97 134.28 34.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 87' ' ' ASP . 5.6 ttpm? -99.9 151.66 21.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 78' ' ' LYS . 93.8 t -129.61 137.11 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.455 ' N ' HG13 ' A' ' 77' ' ' VAL . 34.8 tttp -93.64 152.52 18.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -110.83 102.4 10.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -124.23 96.04 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.57 -152.77 51.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -6.36 18.4 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -110.16 160.78 16.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -118.75 104.27 10.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.938 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.08 108.96 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 87' ' ' ASP . 54.4 mt -52.02 148.0 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 1.6 t70 -94.79 45.85 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 89' ' ' GLU . 20.4 m -108.59 176.55 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 88' ' ' VAL . 10.5 tp10 -34.68 -48.81 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -116.28 132.73 23.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.701 0.763 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 87.05 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.702 2.268 . . . . 0.0 112.366 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -76.58 102.51 6.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.2 p -87.02 121.87 30.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 31.1 p -123.93 -177.62 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.8 p -87.02 -43.42 12.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -149.71 178.53 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 98' ' ' ASP . 46.4 mt -57.08 -42.25 80.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' LEU . 43.6 t0 -37.88 -58.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.2 -57.25 7.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.3 t -38.17 -55.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.4 t -43.85 -48.21 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -66.63 -39.13 88.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -53.18 -50.22 65.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -59.87 -47.08 87.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 85.0 t -48.01 -59.09 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.195 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.5 t -61.26 -54.87 38.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -42.96 -54.42 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.844 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 109' ' ' LYS . 25.4 p -60.44 130.19 45.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 108' ' ' THR . 35.1 ttpt -36.75 -58.69 0.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.809 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.59 136.63 44.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.55 104.07 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.3 tp -76.12 161.88 28.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.7 t -103.31 133.58 20.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.631 0.729 . . . . 0.0 111.08 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 154.84 66.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.627 2.218 . . . . 0.0 112.294 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.491 ' CE1' HD22 ' A' ' 36' ' ' LEU . 2.6 t80 -98.48 115.21 28.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.4 tp -130.18 132.88 46.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 tp -137.02 109.65 7.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.819 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -163.35 123.7 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.38 . . . . 0.0 110.9 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -169.94 172.19 6.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.77 93.67 0.11 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.551 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -142.65 116.05 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.6 m -144.31 152.67 41.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.826 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.6 148.24 2.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 10' ' ' LEU . 68.7 mt-10 -53.34 174.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.466 ' O ' ' C ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -37.2 -30.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.47 HD12 ' CG ' ' A' ' 13' ' ' GLU . 13.2 tp 33.16 46.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.61 2.93 28.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.4 32.48 4.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' CG ' HD12 ' A' ' 10' ' ' LEU . 33.2 mm-40 -100.59 134.28 43.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -135.2 151.26 50.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -155.46 140.46 17.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 17' ' ' ARG . 30.1 ptt180 -114.25 -15.19 12.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 16' ' ' ARG . 15.3 ptp180 34.85 45.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.08 63.52 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.61 -68.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -106.76 -34.87 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 p -100.47 152.24 37.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 111.094 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.57 38.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.628 2.219 . . . . 0.0 112.364 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -40.68 -48.93 3.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.6 p -41.14 -41.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.414 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 40.6 t80 -55.24 155.07 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.43 151.47 30.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.93 104.79 17.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.2 m -152.13 168.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.197 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -95.23 150.87 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 31' ' ' LEU . 14.4 ttt180 -40.36 -63.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' ARG . 8.4 mp -37.22 -36.53 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' GLN . 20.1 mm-40 -84.16 -56.68 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -39.42 -27.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . 5.2 tm0? -80.14 -66.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.598 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 2.7 pp -52.56 -46.03 66.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.598 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 19.6 mt -40.72 -26.69 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 35' ' ' LEU . 31.4 mt -73.05 -58.31 3.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 3.8 pt-20 -62.68 -30.07 71.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.423 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 11.3 mtp85 -68.81 -52.37 30.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -120.8 78.27 30.56 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.657 0.741 . . . . 0.0 110.91 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -44.34 2.12 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.681 2.254 . . . . 0.0 112.26 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -50.65 -31.01 14.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 60.4 m -86.1 38.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.0 177.21 2.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' O ' ' CD2' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -122.78 -14.03 7.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.882 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 115' ' ' PHE . 8.1 tp -79.17 103.86 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.405 ' CB ' ' HB3' ' A' ' 115' ' ' PHE . 0.6 OUTLIER -131.06 159.66 36.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mp -118.74 131.87 56.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 49' ' ' ARG . 3.3 ppt_? -129.31 143.83 50.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.533 0.682 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.8 123.45 10.1 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.642 2.228 . . . . 0.0 112.349 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.7 m -63.86 -179.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.61 -51.61 0.65 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.418 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -159.73 176.68 11.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.34 -74.28 0.21 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -130.56 177.64 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.065 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.41 121.79 42.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.67 -179.08 21.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.397 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.7 p -112.63 156.59 13.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.796 0.332 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -105.15 161.12 14.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.7 t -121.44 108.97 23.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.419 HG23 ' CD2' ' A' ' 74' ' ' HIS . 4.6 m -85.17 119.23 25.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.5 p -135.01 123.15 22.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -108.01 93.37 4.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -104.44 156.97 17.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 tpt -67.46 127.29 32.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -136.89 123.9 21.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 43.08 26.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.27 42.41 83.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.6 t -134.4 160.82 36.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 111.206 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -96.11 103.78 15.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 72' ' ' VAL . 14.4 p -145.03 143.11 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.433 ' N ' HG23 ' A' ' 71' ' ' VAL . 1.9 p -115.02 146.76 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -117.34 143.55 45.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.419 ' CD2' HG23 ' A' ' 61' ' ' THR . 8.3 m-70 -120.84 104.98 10.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.802 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -79.96 160.81 25.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 87' ' ' ASP . 35.7 tptt -117.23 149.12 40.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.961 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.5 t -125.19 119.15 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -77.81 159.75 28.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -121.87 92.38 3.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -112.97 88.42 2.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.07 -154.05 40.56 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 3.37 2.78 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.747 2.298 . . . . 0.0 112.368 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -118.76 166.09 13.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -125.82 103.5 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.8 t -72.57 141.16 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.3 mt -92.86 133.06 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 76' ' ' LYS . 23.1 p-10 -73.41 77.49 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 89' ' ' GLU . 15.3 m -143.66 -176.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 88' ' ' VAL . 2.6 mp0 -36.43 -64.68 0.32 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -108.03 144.03 28.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.612 0.72 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 82.3 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.745 2.296 . . . . 0.0 112.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -71.61 110.86 6.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.8 p -86.04 134.55 33.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.4 p -122.63 -176.39 3.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.6 t -113.4 -18.46 12.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 t -161.07 171.91 17.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.87 -38.47 88.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -48.54 -53.85 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -43.01 -56.68 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.3 t -42.09 -58.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.3 t -46.54 -40.26 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.194 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -72.08 -58.44 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.525 ' C ' ' CD1' ' A' ' 103' ' ' TYR . 1.5 t80 -41.9 -42.33 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -63.24 -41.55 99.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 91.3 t -57.66 -53.57 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.6 t -69.29 -33.96 73.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -56.22 -61.1 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.815 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.7 p -54.64 154.71 4.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -79.87 -2.07 41.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -131.35 142.08 50.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.55 96.27 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.058 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.0 mt -76.63 171.2 15.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 93.7 t -129.95 136.69 29.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.725 0.774 . . . . 0.0 111.12 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 162.44 42.05 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 116' ' ' LEU . 5.7 t80 -110.54 140.95 44.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' A' ' 115' ' ' PHE . 56.6 tp -149.67 155.42 40.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.19 111.44 4.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -146.28 173.14 12.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.855 0.36 . . . . 0.0 110.918 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 t -122.04 129.67 52.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.41 128.58 7.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.426 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 m -106.88 149.92 26.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.4 m -143.72 176.88 8.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.789 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.63 43.74 1.61 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -69.97 -4.59 21.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.7 t -100.24 -25.34 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 tp -68.91 94.33 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 13' ' ' GLU . . . -136.15 173.56 11.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER 34.15 33.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 11' ' ' ALA . 34.0 mm-40 -94.6 -17.64 22.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -101.5 18.76 19.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.01 144.45 25.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 60.03 24.97 14.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -47.8 121.22 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.0 57.64 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -42.03 60.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -49.72 -38.92 35.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -112.54 152.38 44.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 111.155 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 167.14 25.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.761 2.307 . . . . 0.0 112.366 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 m -67.59 -46.01 73.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 p -50.54 -31.03 14.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -57.93 151.72 17.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 115' ' ' PHE . 0.3 OUTLIER -152.41 151.77 31.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.41 104.98 17.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 m -150.88 175.24 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 t -80.9 160.11 24.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -49.0 -47.92 43.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.9 mt -70.21 -50.14 43.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 33' ' ' ALA . 40.2 mm-40 -46.17 -63.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -37.54 -37.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -64.58 0.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.528 ' CD1' ' C ' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -50.7 -27.38 6.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.88 -41.5 87.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.41 -62.68 1.67 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 9.6 pt-20 -49.12 -42.03 37.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 14.2 mmt180 -58.63 -51.5 69.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -117.61 79.79 12.88 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.643 0.735 . . . . 0.0 110.919 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -15.8 37.31 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.615 2.21 . . . . 0.0 112.375 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -88.72 -25.85 22.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.6 m -60.74 -52.56 64.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.4 -178.11 37.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.26 -42.53 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 tp -77.3 102.86 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.38 131.83 50.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.4 mp -98.93 119.66 38.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -112.35 149.42 41.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.674 0.749 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 146.09 59.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.653 2.235 . . . . 0.0 112.394 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -89.8 159.41 17.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.85 169.21 0.54 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -44.11 -56.93 3.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.35 79.62 0.53 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.525 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -174.22 159.31 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 111.101 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -111.26 -43.52 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -95.89 -170.15 35.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.43 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.0 m -120.21 155.55 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.837 0.351 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.3 m -90.48 146.03 24.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.0 t -117.29 112.94 41.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.183 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 64.1 m -97.54 108.57 21.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.5 p -125.19 132.48 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.8 ptt85 -137.96 152.16 48.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.89 165.5 27.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.1 tpt -91.05 124.03 34.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.443 ' C ' ' OD1' ' A' ' 67' ' ' ASN . 2.0 t60 -148.82 140.75 23.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.443 ' OD1' ' C ' ' A' ' 66' ' ' HIS . 3.8 p-10 41.79 29.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 55.63 41.4 81.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.452 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 t -125.52 163.78 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 111.149 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -102.45 107.03 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.1 t -124.21 133.11 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.5 t -129.5 111.37 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -98.59 152.31 19.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -133.22 116.63 16.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -93.51 161.87 14.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -131.09 143.27 50.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.0 t -129.37 122.04 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 168.21 19.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -121.87 100.27 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -116.94 87.72 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.82 -153.21 46.89 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.436 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.67 -3.04 11.14 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.229 . . . . 0.0 112.413 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -109.0 164.73 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.455 ' CE2' ' HG ' ' A' ' 97' ' ' LEU . 36.3 m-85 -120.55 117.27 27.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.1 m -101.06 113.55 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 87' ' ' ASP . 83.1 mt -62.95 154.7 5.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.183 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.415 ' N ' HG21 ' A' ' 86' ' ' ILE . 18.5 t0 -90.16 41.29 1.04 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' GLU . 16.8 m -107.81 -175.97 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 88' ' ' VAL . 20.8 tt0 -36.52 -65.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -104.85 142.97 25.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.61 0.719 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 85.05 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.71 2.274 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -60.64 98.55 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.6 p -88.86 112.36 23.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.407 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . 27.6 p -120.18 -178.77 3.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 75.4 p -79.36 -57.54 3.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.4 m -139.38 177.5 7.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.455 ' HG ' ' CE2' ' A' ' 84' ' ' TYR . 39.2 mt -51.7 -47.8 63.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -36.0 -49.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.952 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.407 ' CB ' ' HB2' ' A' ' 94' ' ' CYS . . . -57.29 -53.28 59.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.2 t -46.33 -49.05 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.153 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 82.6 t -53.53 -45.45 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -68.71 -43.82 75.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -49.27 -46.14 45.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 105' ' ' VAL . 30.5 m-85 -62.28 -59.82 4.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 104' ' ' PHE . 90.8 t -36.72 -49.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.9 t -74.73 -49.56 20.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -42.97 -61.39 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.2 t -51.26 146.4 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -74.01 -12.93 60.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -124.92 125.27 43.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.33 100.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.5 mt -80.19 138.3 36.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.26 126.11 49.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 150.03 67.77 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.658 2.239 . . . . 0.0 112.351 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.534 ' CD1' HD23 ' A' ' 26' ' ' LEU . 8.0 t80 -97.11 127.02 42.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.0 tp -135.46 130.51 34.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.9 tp -128.59 114.0 16.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.864 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -134.66 157.34 46.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -172.45 170.09 5.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.09 102.04 0.16 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.0 t -104.72 101.38 11.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.1 p -132.12 173.47 11.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.95 -28.6 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -74.63 -2.98 28.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 81.1 t -106.75 -18.87 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.106 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tp -96.17 60.45 2.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.69 -1.42 21.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.07 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.07 5.81 48.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -83.51 -18.4 38.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -115.77 10.27 15.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.31 127.4 31.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -116.33 19.68 14.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -102.51 50.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -112.53 49.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.0 mt -75.58 -66.02 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -38.69 -61.41 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -124.46 149.11 60.56 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.545 0.688 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 179.12 3.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.1 t -77.61 -33.81 53.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.9 p -59.7 -36.98 77.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.824 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -55.45 154.92 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.34 152.68 32.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -97.29 104.86 16.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 m -151.9 174.63 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.9 m -90.79 165.06 13.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.61 -56.12 9.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 mt -53.69 -46.8 70.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -59.13 -58.51 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.59 -38.57 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -75.73 -56.91 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.533 ' CD1' ' C ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.38 -26.05 28.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 mt -68.91 -27.37 65.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -70.71 -36.52 73.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -79.53 -28.7 41.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -74.69 -40.6 61.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -130.69 74.52 80.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.607 0.718 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 -36.6 10.26 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.607 2.205 . . . . 0.0 112.296 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -66.38 -45.7 79.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.8 t -45.92 -47.45 16.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.52 178.11 36.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -124.53 -28.21 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 tp -87.36 99.86 12.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.96 137.74 54.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.1 mp -98.71 119.37 37.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.6 ptt85 -115.19 147.17 37.9 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.66 0.743 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 139.26 39.99 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.77 2.313 . . . . 0.0 112.289 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.1 p -132.02 89.3 2.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.73 -83.68 0.36 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -102.54 -64.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.75 -58.2 0.14 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.542 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.65 -47.28 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.25 94.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.448 ' HA2' ' CG1' ' A' ' 77' ' ' VAL . . . 67.39 120.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.7 m -125.5 162.2 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 0.0 111.074 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t -103.51 124.89 49.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.5 t -90.12 109.6 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.7 m -99.99 111.52 23.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.102 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.4 p -114.09 150.61 33.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 ttt-85 -118.12 85.24 2.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -98.15 162.81 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -107.41 127.41 53.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -150.06 153.38 36.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.9 t30 50.72 26.02 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.47 30.05 67.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.7 t -140.56 154.62 46.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.824 0.345 . . . . 0.0 111.131 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 70' ' ' HIS . 26.4 p-80 -76.84 119.64 20.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 72' ' ' VAL . 14.5 p -128.66 143.83 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.135 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.459 ' N ' HG23 ' A' ' 71' ' ' VAL . 71.2 t -133.33 121.79 43.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -124.19 154.28 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -118.07 162.2 18.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -137.25 108.56 6.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 3.3 ttmm -87.01 120.39 28.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.448 ' CG1' ' HA2' ' A' ' 57' ' ' GLY . 9.4 p -90.28 132.95 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.09 167.55 9.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -126.98 87.85 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -118.04 91.33 3.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.5 -156.32 46.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 0.93 4.96 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.75 149.0 48.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.444 ' CB ' HG22 ' A' ' 77' ' ' VAL . 2.8 m-85 -102.68 157.95 16.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.0 t -128.71 91.26 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.461 HG23 ' N ' ' A' ' 87' ' ' ASP . 2.8 mt -42.27 152.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.461 ' N ' HG23 ' A' ' 86' ' ' ILE . 41.8 p-10 -99.18 76.26 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 89' ' ' GLU . 5.9 m -136.66 -177.35 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' VAL . 4.3 tp10 -34.44 -59.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -111.58 143.1 27.87 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.532 0.682 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 88.96 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.365 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.511 ' CE2' ' SG ' ' A' ' 94' ' ' CYS . 68.8 t80 -82.02 118.39 22.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 99.4 p -100.1 159.99 14.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.511 ' SG ' ' CE2' ' A' ' 92' ' ' PHE . 1.8 m -164.76 147.97 8.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.8 p -72.9 -47.11 48.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.8 m -124.38 161.55 25.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 100' ' ' VAL . 12.2 mt -60.99 -44.55 97.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -37.29 -49.45 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.54 96.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 97' ' ' LEU . 69.5 t -52.09 -42.16 34.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.18 -43.43 93.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -60.99 -44.26 97.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.5 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 21.1 t80 -42.24 -52.27 4.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -59.85 -46.8 88.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 84.8 t -43.58 -47.8 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.4 t -78.46 -45.66 21.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -52.06 -67.27 0.27 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 65.9 p -41.41 124.52 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.202 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 109' ' ' LYS . 2.2 tmtm? -56.32 -47.83 77.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.5 137.88 33.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -43.99 120.16 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.1 tp -106.2 137.41 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.9 t -107.48 132.22 21.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.646 0.736 . . . . 0.0 111.127 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 161.89 44.18 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.764 2.309 . . . . 0.0 112.377 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 6.6 t80 -110.3 124.75 52.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.9 tp -138.19 131.76 30.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.9 tt -135.02 106.18 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.4 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.833 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -140.29 148.08 40.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.83 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -165.42 154.37 12.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.867 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.74 91.95 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.449 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 t -153.33 155.47 36.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.389 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -168.17 139.89 2.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.68 48.87 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.442 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -65.29 -7.24 12.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.1 m -139.5 112.05 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.442 ' CD2' ' HG2' ' A' ' 13' ' ' GLU . 2.1 tt -141.46 107.37 5.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.55 3.09 3.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.05 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.13 16.81 1.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.442 ' HG2' ' CD2' ' A' ' 10' ' ' LEU . 2.3 pt-20 -114.05 137.69 51.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -173.06 165.36 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' HB3' ' CD ' ' A' ' 17' ' ' ARG . . . -124.06 91.96 3.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -95.39 20.37 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' CD ' ' HB3' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -84.61 26.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.38 73.86 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.067 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -124.0 -37.16 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.7 -47.66 63.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -101.84 150.28 37.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 111.151 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 160.46 49.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.632 2.221 . . . . 0.0 112.347 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.5 m -67.37 -33.28 74.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.7 p -64.57 -20.23 66.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 24.8 t80 -73.7 153.71 39.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.415 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -152.41 153.17 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.941 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -95.33 105.07 16.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 m -151.3 158.4 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -68.47 -179.92 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -66.08 -32.78 74.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 mt -89.46 -50.82 5.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -44.4 -32.19 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.43 -50.47 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -52.54 -47.05 66.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.482 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -66.13 -37.0 84.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.94 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 mt -55.57 -20.01 11.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.969 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.9 mt -80.41 -65.42 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -51.2 -27.45 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -74.33 -44.77 51.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -126.33 80.48 68.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.722 0.773 . . . . 0.0 110.947 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -25.83 28.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -77.62 -36.25 51.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.8 m -54.07 -38.9 65.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.03 172.02 16.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.491 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -115.0 -36.95 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.03 108.17 11.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.08 132.08 41.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.7 mp -98.1 114.09 26.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -112.71 146.69 35.55 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.594 0.711 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 129.6 17.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.351 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -137.8 112.93 9.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.7 -125.18 1.81 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.91 41.89 3.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.66 -97.3 0.78 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -121.3 38.71 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -118.99 44.02 2.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.61 135.27 3.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 59' ' ' SER . 5.1 p -125.47 153.92 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 111.128 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.431 ' N ' HG23 ' A' ' 58' ' ' VAL . 48.0 t -124.19 147.69 47.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.43 129.87 59.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.4 m -117.99 110.32 17.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.8 p -114.53 136.92 52.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.174 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -142.71 111.86 6.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.417 ' C ' ' OE1' ' A' ' 64' ' ' GLN . 1.0 OUTLIER -141.24 132.34 26.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.0 ttm -41.98 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -122.37 126.73 48.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.783 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 62.91 26.8 15.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.37 30.51 77.78 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.477 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.4 t -141.37 163.65 32.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 0.0 111.143 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.422 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 47.9 p-80 -92.38 101.31 13.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.3 m -107.3 136.43 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.9 t -134.18 106.68 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -109.33 176.97 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -145.1 134.2 22.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -109.22 138.28 45.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -93.54 164.67 13.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.4 t -133.1 119.5 36.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -78.65 144.84 35.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -106.14 98.35 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -123.38 74.69 1.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.1 -148.54 33.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -11.22 30.4 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.736 2.291 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -99.99 152.25 20.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -117.8 97.03 5.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.469 ' CG1' ' HA ' ' A' ' 91' ' ' PRO . 43.3 t -73.93 127.36 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.643 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 43.8 mt -73.13 158.92 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -87.34 42.91 1.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLU . 20.6 m -103.16 170.45 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' VAL . 23.1 mt-10 -38.47 -47.25 1.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -113.13 140.9 24.79 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.661 0.743 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.469 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 54.1 Cg_endo -69.67 88.33 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.268 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -79.31 112.03 16.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.2 t -86.65 150.07 24.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 15.4 p -144.65 163.84 32.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.5 p -73.09 -40.54 64.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.8 m -158.09 175.14 14.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 98' ' ' ASP . 21.2 mt -49.53 -46.07 48.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 97' ' ' LEU . 17.1 t70 -36.5 -59.1 0.68 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 102' ' ' ASN . . . -47.84 -55.72 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 75.2 t -39.48 -43.41 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.0 -37.86 79.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 99' ' ' ALA . 72.7 m-80 -76.72 -50.56 13.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.643 ' CD2' ' CD1' ' A' ' 86' ' ' ILE . 40.2 t80 -39.95 -54.42 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -58.5 -57.1 14.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 95.6 t -38.29 -56.26 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t -67.28 -48.82 66.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -41.97 -64.17 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.3 t -59.74 139.8 56.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.42 ' HE2' ' C ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -49.95 -70.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -62.71 150.21 41.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.971 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.24 96.44 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.4 tp -63.5 155.07 30.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 44.1 t -125.31 128.01 24.84 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.693 0.759 . . . . 0.0 111.129 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 158.5 56.82 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.647 2.232 . . . . 0.0 112.348 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 3.2 t80 -106.41 129.05 54.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.7 tp -136.14 151.32 49.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -138.53 106.33 5.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 p -169.82 141.98 2.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.883 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 m -154.66 176.83 11.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.52 157.13 19.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.459 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.2 p -103.2 173.93 6.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 p -132.2 151.33 51.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.63 -50.78 0.88 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -64.12 -6.63 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.839 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t -101.69 -26.65 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.466 ' CD2' ' CG ' ' A' ' 13' ' ' GLU . 4.7 tt -54.15 99.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.7 5.13 13.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 pttm -82.04 38.94 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' CG ' ' CD2' ' A' ' 10' ' ' LEU . 1.7 pp20? -154.31 126.98 8.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -150.32 161.68 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.38 93.81 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -113.05 -16.53 12.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.66 43.11 28.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.19 49.55 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.33 -32.18 29.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -58.38 -43.24 88.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.435 HG22 ' CD1' ' A' ' 97' ' ' LEU . 2.3 p -88.36 152.0 49.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 111.183 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 144.98 55.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.314 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.0 m -46.71 -50.26 18.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 p -42.98 -30.09 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -58.89 151.9 20.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.798 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.38 152.43 32.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -97.28 104.6 16.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.2 m -150.02 174.3 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 m -81.59 170.49 15.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -61.24 -33.57 73.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.69 -44.99 13.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.5 -43.74 62.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.31 75.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.42 ' OE1' ' NH2' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -66.49 -55.3 16.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.448 ' CD1' ' HD2' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -62.82 -36.52 83.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.962 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -47.17 -26.05 1.05 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.8 mt -70.21 -59.16 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 9.5 pt-20 -56.56 -37.77 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HD2' ' CD1' ' A' ' 35' ' ' LEU . 52.4 mtt-85 -66.67 -48.89 67.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 115' ' ' PHE . 11.9 m-85 -120.7 73.08 22.75 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.727 . . . . 0.0 110.859 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -40.17 5.71 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 43' ' ' CYS . 34.6 mt-10 -65.75 -56.93 9.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 42' ' ' GLU . 56.7 m -34.28 -52.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.23 -175.72 44.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -131.5 -40.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 tp -76.95 93.44 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.43 165.26 11.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.79 112.19 13.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.403 ' C ' ' HD2' ' A' ' 49' ' ' ARG . 5.0 ppt_? -106.02 144.32 28.7 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.64 0.733 . . . . 0.0 110.857 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 139.21 39.72 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.718 2.279 . . . . 0.0 112.309 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.4 p -58.64 147.43 32.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.78 -45.31 39.82 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -43.13 -47.43 6.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.9 0.381 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.36 -73.28 0.46 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.538 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -129.52 41.95 3.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.333 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -124.52 42.55 3.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.8 161.36 11.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.51 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.0 t -124.37 145.71 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -102.4 147.29 26.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.7 t -114.2 111.51 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.181 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.2 m -102.0 129.07 48.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.2 p -141.41 134.83 29.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' NH2' ' OE1' ' A' ' 34' ' ' GLN . 14.6 ttm180 -126.09 96.57 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.445 ' NE2' HD12 ' A' ' 112' ' ' LEU . 34.7 mt-30 -97.52 151.2 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.975 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.8 tpt -75.96 107.27 8.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -136.11 150.2 49.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 46.69 32.61 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.86 31.59 10.39 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.9 t -140.63 135.58 31.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.741 0.305 . . . . 0.0 111.129 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -65.71 115.31 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.0 t -131.72 134.15 60.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.7 t -114.08 131.22 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -110.92 172.65 6.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -144.66 148.73 34.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -138.15 152.46 48.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -114.11 147.73 38.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.8 t -129.14 104.81 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -69.14 154.38 42.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 79' ' ' ARG . 3.1 tmm_? -113.55 108.62 17.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -125.73 100.24 6.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.94 -157.32 52.39 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -1.87 9.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.607 2.204 . . . . 0.0 112.368 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -122.43 166.15 15.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.4 157.98 22.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.6 t -133.14 121.38 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.061 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.424 ' CD1' ' CD1' ' A' ' 103' ' ' TYR . 56.8 mt -70.55 154.48 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.046 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -91.14 45.6 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.5 m -104.94 -176.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.9 -50.27 3.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -119.99 141.88 32.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 93.02 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.743 2.295 . . . . 0.0 112.347 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -77.45 112.69 14.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.0 p -87.21 132.26 33.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.799 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 21.2 p -129.37 176.62 7.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 96' ' ' SER . 7.7 t -104.07 -42.3 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.436 ' N ' HG23 ' A' ' 95' ' ' THR . 74.8 m -132.37 170.41 15.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.435 ' CD1' HG22 ' A' ' 21' ' ' THR . 13.1 mt -68.12 -44.29 76.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -37.09 -60.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.795 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -45.33 -58.9 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 99.4 t -38.43 -57.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 58.6 t -45.06 -42.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -74.81 -38.42 62.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.424 ' CD1' ' CD1' ' A' ' 86' ' ' ILE . 33.2 t80 -52.98 -69.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 105' ' ' VAL . 13.3 m-85 -38.39 -58.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 109' ' ' LYS . 87.4 t -35.61 -46.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.08 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.7 t -81.82 -39.39 24.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -41.59 -70.09 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.793 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 109' ' ' LYS . 9.0 t -88.7 -52.23 5.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 105' ' ' VAL . 21.6 mmmt -93.56 -175.29 3.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.76 -34.64 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -154.13 106.34 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.445 HD12 ' NE2' ' A' ' 64' ' ' GLN . 10.3 mt -122.08 -176.89 3.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 89.3 t -127.97 125.12 23.46 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 111.08 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.4 65.07 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 40' ' ' TYR . 9.7 t80 -92.92 112.93 25.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.6 tp -114.1 143.05 45.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 tp -140.71 118.24 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.422 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 2.5 p30 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 m -98.04 109.39 22.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -57.37 -50.93 71.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.27 150.66 8.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.491 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -154.99 159.7 40.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.362 . . . . 0.0 110.863 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -168.0 -179.54 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.93 -37.54 1.42 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -66.88 -7.24 20.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.897 0.379 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 m -74.51 -32.55 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.32 113.71 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 13' ' ' GLU . . . -106.02 123.12 47.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.504 ' O ' ' CD ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER 32.04 36.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 11' ' ' ALA . 36.0 mm-40 -91.96 -51.48 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -131.14 149.57 52.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.31 123.78 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -84.9 21.82 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -70.46 94.42 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.66 45.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.2 mt -84.56 -53.48 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -43.66 -39.55 3.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.959 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -134.37 147.4 63.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.555 0.693 . . . . 0.0 111.202 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.37 66.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.0 m -48.8 -54.08 16.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.1 p -38.58 -43.58 0.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -44.5 156.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.56 HD23 ' CD1' ' A' ' 115' ' ' PHE . 0.3 OUTLIER -152.48 151.57 30.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -97.46 104.61 16.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 m -151.66 168.58 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 m -75.36 -176.72 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.832 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.5 ttt-85 -62.5 -56.01 22.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 34' ' ' GLN . 13.0 mt -71.86 -47.63 51.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -40.48 -42.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.28 87.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' LEU . 10.4 tt0 -65.18 -54.11 34.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.405 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -59.45 -33.77 71.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 mt -56.17 -21.03 20.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.8 mt -76.48 -63.43 1.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -57.09 -24.05 51.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -78.05 -49.85 13.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -119.62 78.98 21.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.666 0.746 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -46.43 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.73 2.287 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' CYS . 12.4 mm-40 -52.9 -58.88 5.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLU . 77.5 m -37.46 -48.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.77 174.65 22.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.486 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.89 -35.9 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.0 tp -72.12 93.75 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.488 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -120.35 140.71 50.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.1 mp -103.43 105.2 15.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -104.31 143.62 27.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.636 0.731 . . . . 0.0 110.892 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 136.58 33.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.272 . . . . 0.0 112.303 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.4 m -51.57 179.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.38 -85.66 0.9 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -131.28 110.37 11.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.71 -43.31 1.27 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.544 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.04 -49.72 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 62.26 40.34 11.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -139.11 -115.64 1.31 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.2 t -145.05 143.49 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -129.96 147.26 51.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.799 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.1 t -107.45 112.47 40.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.5 m -96.9 114.05 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.3 p -120.75 123.12 41.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.3 tpt85 -84.84 86.23 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -105.39 167.56 9.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.6 tpt -102.17 124.75 48.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -134.7 143.9 47.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 42.59 33.55 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.87 39.83 40.79 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.467 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.1 t -138.12 148.81 45.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 111.12 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' A' ' 70' ' ' HIS . 55.1 p-80 -72.82 107.6 5.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.6 p -148.74 139.22 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 96.2 t -108.43 142.62 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -111.08 161.06 16.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -145.27 110.73 5.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.78 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -83.98 124.7 31.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.995 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -82.15 144.52 30.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.2 t -118.17 106.48 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 79' ' ' ARG . 5.6 tmtm? -69.04 145.67 53.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -104.97 105.62 15.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.453 ' O ' ' CD ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -130.64 93.43 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.65 -156.06 53.34 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 3.07 3.01 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.698 2.266 . . . . 0.0 112.275 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 94' ' ' CYS . 0.0 OUTLIER -123.45 171.62 9.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.89 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -126.29 161.04 28.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 85.6 t -130.19 127.15 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.086 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 69.8 mt -75.24 148.25 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -82.81 46.42 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.4 m -111.14 174.05 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -41.63 -49.57 4.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -109.55 129.81 23.5 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 86.8 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.409 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 30.7 t80 -72.65 115.83 12.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.5 p -89.71 131.36 35.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.831 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 83' ' ' LYS . 22.8 p -124.64 174.63 7.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 t -98.17 -33.35 11.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.4 t -148.22 164.12 34.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 98' ' ' ASP . 45.7 mt -53.08 -47.21 68.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 97' ' ' LEU . 3.1 t0 -37.76 -50.07 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -51.36 -51.59 53.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.8 t -43.35 -50.11 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 92.5 t -54.28 -50.79 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -60.82 -55.57 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.409 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 40.6 t80 -40.15 -54.91 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' A' ' 105' ' ' VAL . 22.1 m-85 -55.43 -63.89 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 104' ' ' PHE . 55.9 t -35.4 -59.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.4 t -60.03 -56.04 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -41.96 -61.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.9 t -61.67 139.39 58.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.21 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -64.96 -58.17 6.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -62.95 154.02 31.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.22 96.37 9.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.058 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.7 mp -73.53 166.23 23.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 70.7 t -119.32 130.94 24.57 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.584 0.707 . . . . 0.0 111.094 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 139.88 41.36 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.56 ' CD1' HD23 ' A' ' 26' ' ' LEU . 13.7 t80 -87.39 125.64 34.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.1 tp -134.88 131.71 37.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 tp -131.12 110.46 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -160.37 136.55 8.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.834 0.349 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 p -138.91 167.3 22.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.37 -171.82 20.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -72.45 144.51 48.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 p -106.22 173.14 6.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.81 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.47 -43.81 1.58 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -79.32 0.97 26.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.402 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 t -88.91 -31.84 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.121 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' ALA . 15.3 tp -50.48 94.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' LEU . . . -36.31 153.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.0 116.36 0.57 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.26 148.38 22.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -159.87 151.67 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.63 122.35 41.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.1 ttm-85 -101.71 20.66 15.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -89.51 43.24 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.1 51.9 1.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.82 -37.16 7.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -57.45 -47.82 80.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 p -142.34 150.25 54.29 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.567 0.699 . . . . 0.0 111.15 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 154.39 68.07 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.679 2.252 . . . . 0.0 112.366 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 p -58.15 -37.65 75.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.3 m -51.67 -34.83 39.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CD2' ' O ' ' A' ' 48' ' ' LEU . 8.0 t80 -61.62 150.93 34.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.439 ' CD1' HD12 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.47 153.72 34.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.974 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -93.29 104.91 17.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 m -147.66 174.52 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.8 m -86.92 167.82 13.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 -50.67 -49.79 56.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 mt -67.37 -52.21 42.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -42.09 -51.24 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.47 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -57.49 -61.05 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -51.45 -60.78 2.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.551 ' CD1' ' C ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -55.55 -33.46 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.77 -32.56 74.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.403 ' CD2' HD23 ' A' ' 47' ' ' LEU . 74.2 mt -56.72 -59.63 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -64.23 -33.84 76.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -62.2 -56.39 19.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -110.01 81.25 2.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.683 0.754 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -42.95 2.98 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.744 2.296 . . . . 0.0 112.289 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.86 -46.39 90.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.6 m -50.19 -50.29 49.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.53 -178.56 28.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.449 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.65 -42.58 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.462 ' HB2' ' CD2' ' A' ' 112' ' ' LEU . 5.6 tp -70.2 96.13 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.47 HD13 ' CB ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -117.11 176.71 5.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 5.8 mp -139.51 113.94 9.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -106.39 142.05 24.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.719 . . . . 0.0 110.825 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.442 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.77 144.21 53.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.298 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.9 m -95.91 38.45 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.67 -160.26 51.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -88.78 82.37 6.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.891 0.377 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.61 82.97 0.18 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 62.45 42.43 8.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 111.082 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 55' ' ' ALA . 70.3 m-20 34.45 43.38 0.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.6 140.48 16.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.504 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.438 ' CG1' HD21 ' A' ' 97' ' ' LEU . 10.6 p -122.91 156.14 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 m -120.04 146.93 45.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.489 HG11 ' CE2' ' A' ' 104' ' ' PHE . 94.6 t -100.34 118.52 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.201 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.3 m -109.33 121.3 44.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.0 p -138.23 141.32 39.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -124.71 144.87 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -142.06 177.89 7.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 ttm -108.22 103.89 13.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -135.74 128.27 30.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 73.38 27.04 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 58.98 30.41 66.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.432 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -141.14 159.02 43.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.363 . . . . 0.0 111.111 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -83.29 111.07 18.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.2 m -111.01 135.04 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.3 t -132.79 117.42 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -108.9 139.7 43.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -113.07 118.87 35.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -105.9 159.49 15.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -119.21 166.72 12.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.0 t -131.38 98.52 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -69.19 160.07 31.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -111.95 104.43 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.948 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -118.16 84.95 2.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.44 -156.0 33.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.444 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -5.45 16.24 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.394 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? -122.2 169.92 10.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -117.92 144.2 45.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.0 m -121.51 117.41 52.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.526 HD11 ' CD1' ' A' ' 92' ' ' PHE . 76.3 mt -47.92 156.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -91.69 46.38 1.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.4 m -111.64 -175.17 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -49.34 -51.76 32.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.35 130.61 22.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 86.38 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.704 2.27 . . . . 0.0 112.324 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.561 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 4.1 t80 -74.43 102.09 4.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.7 p -84.6 152.98 23.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.415 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . 26.6 p -151.02 -175.79 5.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.8 t -83.95 -43.81 14.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -152.18 170.18 20.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.795 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.438 HD21 ' CG1' ' A' ' 58' ' ' VAL . 19.4 mt -46.68 -43.96 18.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -37.39 -58.3 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.415 ' CB ' ' HB2' ' A' ' 94' ' ' CYS . . . -46.46 -55.27 7.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 96.9 t -40.15 -55.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.0 t -47.19 -49.95 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -60.22 -44.62 95.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -51.64 -59.74 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.489 ' CE2' HG11 ' A' ' 60' ' ' VAL . 7.5 m-85 -49.74 -42.35 45.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.4 t -54.1 -47.69 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.151 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 t -71.85 -51.93 19.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -45.22 -49.7 12.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.5 p -62.28 122.34 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -55.64 -27.61 50.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -110.95 125.02 53.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -43.35 99.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 46' ' ' LEU . 8.2 tp -81.9 120.1 24.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.3 t -81.46 128.96 67.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.656 0.741 . . . . 0.0 111.131 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 148.9 66.22 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -96.81 110.65 23.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.5 tp -128.61 130.23 47.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.9 tt -120.51 106.29 11.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.6 t0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.876 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p -157.56 118.31 3.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.934 0.397 . . . . 0.0 110.835 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.0 p 42.14 42.52 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.54 104.32 0.26 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.514 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -163.55 161.54 24.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.905 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -125.54 136.93 53.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.51 72.02 0.45 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -121.12 -6.76 9.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.6 t -90.2 -30.03 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.462 ' CD2' ' HG3' ' A' ' 13' ' ' GLU . 2.0 tt -60.53 116.34 4.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.71 174.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -53.59 103.27 0.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.462 ' HG3' ' CD2' ' A' ' 10' ' ' LEU . 16.8 mt-10 -146.39 126.33 13.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -149.37 126.64 11.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.17 144.23 44.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 17' ' ' ARG . 9.9 mpt_? -103.17 -14.67 16.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 16' ' ' ARG . 13.6 tpp180 34.24 39.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.8 38.88 3.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.16 -57.91 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -40.36 -52.23 2.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 p -115.64 152.19 46.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 0.0 111.09 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' SER . 54.1 Cg_endo -69.75 132.88 24.26 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.631 2.22 . . . . 0.0 112.325 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' PRO . 63.7 p -36.35 -54.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -37.57 -45.21 0.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -50.47 158.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.565 HD22 ' CD1' ' A' ' 115' ' ' PHE . 0.3 OUTLIER -152.32 156.45 39.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.39 104.43 14.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.42 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 4.0 m -149.11 175.34 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.4 m -83.15 156.88 23.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.45 ' HD2' ' N ' ' A' ' 31' ' ' LEU . 2.0 tmm_? -43.27 -46.9 6.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' N ' ' HD2' ' A' ' 30' ' ' ARG . 14.6 mt -73.66 -52.16 14.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -39.53 -57.31 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.42 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . . . -49.81 -49.69 47.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -51.67 -69.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.428 ' C ' HD13 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -51.04 -39.49 56.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.56 HD23 ' CZ ' ' A' ' 115' ' ' PHE . 7.5 tp -40.14 -33.32 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.86 -62.47 1.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 3.7 pt-20 -51.45 -28.19 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.502 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 11.1 mmt180 -75.12 -47.93 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.502 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 4.9 m-85 -128.57 77.65 77.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.741 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 -48.86 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.596 2.198 . . . . 0.0 112.371 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -46.98 -53.02 13.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.8 t -40.75 -36.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 135.15 164.99 10.63 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.93 17.38 21.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 110.799 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.2 tp -117.68 83.24 1.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 115' ' ' PHE . 0.7 OUTLIER -113.58 146.56 39.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.948 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.3 mp -108.71 113.29 26.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.6 ptt85 -107.53 140.89 21.97 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.691 0.758 . . . . 0.0 110.801 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 126.16 12.94 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.7 2.266 . . . . 0.0 112.291 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.3 t -124.1 128.05 48.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.785 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.32 82.54 0.3 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.52 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -124.8 -58.34 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.25 -84.5 1.01 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.465 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.09 42.09 2.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.816 0.341 . . . . 0.0 111.065 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.8 t0 47.73 41.86 14.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.42 -142.05 4.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 59' ' ' SER . 92.6 t -129.79 148.18 33.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.419 ' N ' HG12 ' A' ' 58' ' ' VAL . 1.3 t -122.97 127.68 49.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.0 t -92.77 126.93 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.8 m -107.43 118.1 35.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.9 p -124.7 128.88 49.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -112.1 86.56 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -93.36 173.8 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.1 ttt -112.26 125.52 54.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -145.41 126.55 14.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 71.3 36.71 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.15 37.51 30.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.0 t -141.25 164.33 30.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 111.097 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -94.15 126.13 39.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.3 p -143.53 139.78 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 67.9 t -108.82 115.75 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -100.43 140.4 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -115.18 143.89 44.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -126.69 138.63 53.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 77' ' ' VAL . 4.4 tppp? -110.14 154.69 22.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.418 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 84.2 t -133.31 112.61 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -71.42 161.77 30.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -115.42 113.42 23.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -133.73 81.97 1.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.12 -160.64 29.75 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.559 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 2.96 3.1 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.734 2.289 . . . . 0.0 112.289 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.44 162.29 20.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -118.4 122.31 42.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.6 m -102.21 140.38 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.431 ' CD1' ' CD1' ' A' ' 103' ' ' TYR . 39.8 mt -81.49 149.19 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -87.34 53.09 2.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 89' ' ' GLU . 7.1 m -114.68 178.04 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' VAL . 36.0 mt-10 -34.44 -49.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -121.93 136.48 26.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.61 0.719 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 90.41 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -75.12 106.64 6.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 93.5 p -79.6 137.5 37.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.7 p -131.57 175.88 8.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.463 HG23 ' N ' ' A' ' 96' ' ' SER . 9.9 t -96.51 -45.61 6.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.463 ' N ' HG23 ' A' ' 95' ' ' THR . 4.8 m -140.95 166.81 23.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.6 mt -47.75 -52.21 19.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -38.9 -59.56 0.95 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -41.03 -53.11 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 85.2 t -45.49 -48.73 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 86.3 t -56.02 -47.36 80.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -60.55 -45.08 95.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.431 ' CD1' ' CD1' ' A' ' 86' ' ' ILE . 11.5 t80 -50.12 -50.31 48.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -60.02 -54.88 40.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 86.1 t -44.27 -55.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.0 t -65.87 -45.27 82.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.787 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -41.55 -60.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.5 p -67.01 139.22 57.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.425 ' HD3' ' C ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -54.0 -38.82 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -96.64 127.0 42.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.83 109.0 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.23 161.95 30.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.0 t -110.96 122.69 37.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.668 0.747 . . . . 0.0 111.166 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 148.56 65.03 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.556 2.171 . . . . 0.0 112.418 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.565 ' CD1' HD22 ' A' ' 26' ' ' LEU . 4.4 t80 -105.22 114.87 29.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.4 tp -115.49 151.89 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.461 HD11 ' N ' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -150.88 116.45 5.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.461 ' N ' HD11 ' A' ' 117' ' ' LEU . 1.1 p30 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -152.27 135.14 15.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.901 0.381 . . . . 0.0 110.838 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -148.6 150.39 33.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.54 52.51 0.45 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.8 p -87.33 146.28 25.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.875 0.369 . . . . 0.0 110.795 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 m -109.65 167.73 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.48 -62.77 2.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.419 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -71.5 -5.86 36.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.888 0.375 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 63.9 t -82.8 -26.67 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tp -66.52 102.6 0.92 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 13' ' ' GLU . . . -146.53 -178.24 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER 33.37 33.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -126.24 126.99 44.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -156.64 178.71 10.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.32 116.95 4.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -102.5 15.89 27.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -50.26 151.6 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 70.05 36.61 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 pp -87.9 -18.64 28.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -100.73 -44.28 5.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -142.08 151.69 59.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 151.44 68.39 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.644 2.23 . . . . 0.0 112.329 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.2 m -61.38 -20.04 62.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.5 p -76.72 -19.84 57.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -74.13 146.22 43.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.73 149.88 28.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' HA ' ' CD ' ' A' ' 50' ' ' PRO . 27.0 mtmt -85.21 105.04 15.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 m -150.26 161.3 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 30' ' ' ARG . 1.4 t -86.65 137.79 32.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' SER . 11.6 ptm180 -33.9 -41.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -56.17 -64.94 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -50.79 -46.56 59.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.466 ' HB2' ' CD1' ' A' ' 47' ' ' LEU . . . -55.22 -57.27 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -46.18 -63.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -58.97 -35.13 72.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -58.36 -43.36 88.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.998 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.453 HD13 ' CB ' ' A' ' 63' ' ' ARG . 44.4 mt -44.86 -58.44 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 6.2 pt-20 -63.28 -40.49 97.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 18.9 mtt180 -52.4 -53.78 40.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -107.55 80.65 0.96 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.666 0.746 . . . . 0.0 110.963 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -3.95 13.02 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.715 2.276 . . . . 0.0 112.343 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -106.87 -44.69 4.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.9 m -51.25 -33.7 29.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.38 -175.51 20.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -130.88 -32.0 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.949 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 tp -85.52 94.47 9.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 26' ' ' LEU . 0.9 OUTLIER -108.23 -176.6 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.6 mp -143.95 130.03 19.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.5 ptt-85 -127.16 142.6 44.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.571 0.7 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.454 ' CD ' ' HA ' ' A' ' 27' ' ' LYS . 53.6 Cg_endo -69.75 141.32 44.97 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 m -126.41 125.23 41.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.74 -83.29 1.69 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.7 109.58 5.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.21 -59.31 0.59 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -141.33 167.55 21.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 111.109 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -99.43 97.36 8.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 137.75 -157.68 24.27 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.9 m -111.68 161.1 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 111.088 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 t -112.16 133.15 54.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.7 t -95.88 121.64 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.1 m -107.66 114.99 29.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.7 p -119.36 134.66 55.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.453 ' CB ' HD13 ' A' ' 37' ' ' LEU . 69.4 ttt-85 -126.43 86.57 2.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -95.96 166.25 11.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.6 mtp -99.9 96.06 7.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -107.7 136.57 47.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 52.19 27.84 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.85 40.7 99.57 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.439 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.5 t -138.92 164.33 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 111.093 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -92.16 104.43 16.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.782 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.7 m -111.12 132.35 59.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 78.3 t -129.13 114.59 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -122.79 168.37 12.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -131.69 149.2 52.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -132.17 108.11 9.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.78 146.57 51.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.5 t -111.81 101.5 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.185 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 79' ' ' ARG . 20.7 tptt -66.04 149.8 49.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 0.9 OUTLIER -116.31 88.04 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -111.14 95.68 5.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.06 -159.5 47.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.51 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 2.86 3.18 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.32 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -124.8 161.5 26.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -106.32 144.1 33.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 68.9 t -117.31 116.05 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.561 HD12 ' CD1' ' A' ' 103' ' ' TYR . 2.4 mt -68.82 127.45 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.082 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -72.62 75.75 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.81 -174.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -41.78 -58.82 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -107.82 143.24 26.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.522 0.677 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 89.01 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.73 2.286 . . . . 0.0 112.295 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -77.66 124.96 28.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 91.2 p -107.29 130.4 54.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.6 p -128.44 179.41 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.32 -39.18 9.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 m -142.89 -177.92 5.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.16 -28.22 63.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -53.33 -48.16 68.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.11 65.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 87.1 t -44.76 -50.3 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 91.4 t -50.2 -39.19 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -78.34 -39.99 37.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.561 ' CD1' HD12 ' A' ' 86' ' ' ILE . 21.3 t80 -47.28 -52.22 16.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -59.84 -46.18 90.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 49.3 t -50.31 -45.03 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.8 t -73.94 -55.43 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -44.6 -63.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 44.5 p -51.23 143.05 11.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -22.9 50.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -122.75 151.21 41.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.05 98.84 8.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.89 159.02 35.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.4 t -108.49 135.54 20.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.729 . . . . 0.0 111.189 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 147.16 62.31 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.418 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -95.01 120.85 35.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.5 tp -126.67 131.52 51.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.32 110.74 15.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.0 t70 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.815 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -165.05 157.72 16.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.801 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.7 p -164.71 174.35 10.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.17 -53.14 1.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.459 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 55.54 42.28 29.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.862 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -81.73 166.41 20.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.1 -53.2 0.75 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -67.27 -4.63 11.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.839 0.352 . . . . 0.0 110.803 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.7 t -77.38 -23.19 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.17 106.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 12' ' ' LYS . . . -155.3 159.76 40.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER 37.33 41.47 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -83.25 -57.35 3.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -120.13 175.4 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.5 158.06 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.2 -14.93 7.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 52.55 53.39 12.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.69 65.52 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.2 mt -81.87 -55.86 4.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.73 -47.06 76.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -107.8 153.03 41.79 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.601 0.715 . . . . 0.0 111.075 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 160.65 48.93 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.0 p -61.62 -36.16 79.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p -52.79 -37.36 59.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 9.0 t80 -60.94 153.3 25.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -152.38 154.5 35.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.89 105.21 17.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.8 m -152.01 170.59 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.1 p -79.44 151.06 31.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.67 -18.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.8 mt -88.46 -50.79 6.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -56.26 -49.07 75.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.32 -38.34 8.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -68.35 -69.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.427 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -54.67 -21.55 11.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.8 mt -65.15 -25.73 67.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.1 mt -71.15 -57.73 4.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.22 -32.9 72.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.427 ' HG3' ' CD1' ' A' ' 35' ' ' LEU . 17.3 mmt180 -67.12 -54.55 20.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -108.71 78.77 0.95 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -46.12 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.415 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -51.56 -53.49 37.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 95.7 m -44.61 -50.67 9.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.22 -172.62 31.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -121.83 -29.52 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 115' ' ' PHE . 6.3 tp -79.33 116.46 19.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.22 155.5 46.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.5 mp -120.86 118.92 31.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.2 ptt85 -111.77 143.66 29.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.602 0.715 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.461 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.8 Cg_endo -69.66 124.06 10.75 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 t -120.37 74.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.804 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.56 -162.01 33.66 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.447 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -96.8 42.23 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.901 0.382 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.59 -109.77 0.72 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.58 37.1 3.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -114.35 80.37 1.39 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.65 125.59 5.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.1 t -128.37 140.42 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.784 0.326 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 m -104.61 159.47 15.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t -125.2 118.46 52.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.6 m -104.19 121.55 43.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.1 p -137.99 136.91 37.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -136.08 145.14 45.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -167.84 172.56 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.6 ttm -69.19 97.99 0.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.427 ' O ' ' CG2' ' A' ' 69' ' ' THR . 2.8 t-80 -108.95 123.74 49.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 55.94 28.24 12.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.42 17.49 76.23 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.52 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.427 ' CG2' ' O ' ' A' ' 66' ' ' HIS . 14.8 t -126.58 162.11 26.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -98.44 118.29 34.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.8 p -148.99 144.99 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.8 t -108.42 120.68 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -93.88 164.73 12.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -145.37 150.37 36.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -136.26 157.34 47.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.62 140.15 52.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.3 t -114.63 135.54 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 79' ' ' ARG . 32.6 tptt -87.67 149.95 23.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.427 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 17.0 tpt85 -114.48 107.14 15.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -147.77 114.9 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.55 -169.48 33.34 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 2.71 3.25 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.17 151.66 43.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -116.39 119.52 35.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -94.26 122.69 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.426 HD13 ' CD1' ' A' ' 103' ' ' TYR . 16.7 mt -65.23 127.25 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -68.09 74.32 0.21 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.782 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -134.95 -176.96 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -39.84 -48.7 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -120.93 141.48 32.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.528 0.68 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 89.18 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -83.05 102.75 11.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.6 p -75.84 156.57 34.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 27.3 p -146.95 -177.19 5.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.6 t -100.61 -39.03 8.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.178 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.9 t -147.58 -175.18 4.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.93 -38.71 72.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.53 -52.83 52.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.67 -46.21 49.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 94.8 t -46.29 -53.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.8 t -49.39 -46.41 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -57.33 -36.26 70.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.426 ' CD1' HD13 ' A' ' 86' ' ' ILE . 42.9 t80 -64.56 -31.38 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -82.09 -46.93 13.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.974 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.4 t -45.39 -26.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.5 t -82.39 -68.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -43.8 -53.04 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.3 p -58.66 -177.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -40.78 151.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.49 ' N ' ' HD3' ' A' ' 109' ' ' LYS . 15.2 ttmt -33.05 -34.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 109' ' ' LYS . . . -154.28 130.19 10.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.2 tp -119.68 134.54 55.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.6 t -85.8 124.36 71.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.665 0.745 . . . . 0.0 111.136 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 160.85 48.17 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 46' ' ' LEU . 12.0 t80 -108.89 120.55 42.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.4 tp -137.34 130.99 31.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.1 tt -121.76 102.59 8.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.815 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.1 t -164.07 130.52 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.948 0.404 . . . . 0.0 110.823 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -142.13 168.55 19.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.46 172.5 17.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.441 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.3 p -145.04 176.51 9.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 m -96.77 177.46 5.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.76 115.22 6.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' VAL . 11.7 mt-10 -49.96 -179.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.971 0.415 . . . . 0.0 110.885 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 8' ' ' GLU . 5.0 m -34.22 113.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.461 HD12 ' CG ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -130.35 98.43 4.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.15 6.64 13.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.091 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' CD ' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -109.72 30.54 6.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.971 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.461 ' CG ' HD12 ' A' ' 10' ' ' LEU . 11.8 mt-10 -73.47 -55.46 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -152.47 145.87 24.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.25 139.15 51.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.44 ' HD3' ' CD ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -95.36 -13.87 24.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' CD ' ' HD3' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -76.63 48.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.02 58.77 3.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mp -79.5 -66.3 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.024 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -44.18 -50.13 8.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -144.13 149.56 45.77 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 0.0 111.147 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.76 55.84 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.391 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 m -55.44 -48.17 74.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.7 p -45.23 -42.6 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 36.4 t80 -43.76 154.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.503 HD23 ' CD1' ' A' ' 115' ' ' PHE . 0.3 OUTLIER -152.23 153.58 34.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -102.43 104.74 15.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 m -148.54 174.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.181 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 t -79.27 160.93 26.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -59.39 -47.04 86.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 mp -76.07 -24.02 55.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 33' ' ' ALA . 29.0 mt-10 -72.92 -59.42 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -34.59 -48.77 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.32 -66.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.427 ' C ' ' CD1' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -56.61 -32.86 65.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tp -43.61 -22.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 63' ' ' ARG . 77.6 mt -77.92 -55.11 5.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.65 -26.51 9.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -84.37 -40.67 17.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -126.31 59.49 31.5 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.02 29.95 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.636 2.224 . . . . 0.0 112.313 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -93.57 -16.98 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 p -79.99 -32.41 39.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.52 -179.95 24.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -125.02 -26.46 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.375 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 tp -81.39 90.02 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.403 ' HB3' ' CB ' ' A' ' 115' ' ' PHE . 1.7 pp -115.37 148.49 39.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.2 mp -120.3 110.57 16.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.433 ' NH1' ' C ' ' A' ' 60' ' ' VAL . 0.1 OUTLIER -99.16 151.24 37.32 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.593 0.711 . . . . 0.0 110.864 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 124.04 10.71 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.687 2.258 . . . . 0.0 112.374 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t -101.39 103.77 14.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.799 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.18 158.19 33.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -97.22 112.23 24.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.83 73.02 0.82 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -159.11 168.55 26.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.58 41.42 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.87 139.78 11.23 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.7 t -139.47 147.7 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 49' ' ' ARG . 31.0 m -111.75 159.18 18.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.433 ' C ' ' NH1' ' A' ' 49' ' ' ARG . 48.1 t -133.56 124.05 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.1 m -108.11 112.17 24.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.166 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.6 p -119.24 127.02 52.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.467 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . 4.2 tmm_? -111.26 83.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -86.92 155.86 20.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.4 ttm -102.39 125.62 49.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -122.89 103.41 8.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.36 31.35 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.01 43.87 32.1 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 t -127.3 154.66 44.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 111.151 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.475 ' CG ' ' O ' ' A' ' 70' ' ' HIS . 1.6 p80 -99.22 122.42 42.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 72' ' ' VAL . 96.7 t -149.45 134.75 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.417 ' N ' HG13 ' A' ' 71' ' ' VAL . 82.5 t -108.32 104.98 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -94.24 140.59 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -122.02 131.89 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -109.84 141.04 43.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.987 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 77' ' ' VAL . 28.2 tptt -108.76 156.37 19.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.42 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 98.2 t -133.36 122.35 44.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 145.38 29.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -95.21 109.86 21.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -129.79 83.68 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.06 -157.19 36.89 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.43 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -2.32 9.96 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 pttm -114.53 170.88 7.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -123.0 109.99 14.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.8 t -86.55 124.79 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 103' ' ' TYR . 6.1 mt -67.81 145.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -92.82 65.35 4.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 89' ' ' GLU . 17.4 m -130.41 -178.56 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.056 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' VAL . 24.5 tp10 -36.42 -60.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -106.7 135.49 19.52 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.576 0.703 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 86.39 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.627 2.218 . . . . 0.0 112.373 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.728 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 50.5 t80 -81.02 109.93 16.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.0 p -81.98 151.65 27.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 17.5 p -141.23 -175.31 4.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.9 t -109.33 -29.13 8.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.6 p -163.66 176.21 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.3 mt -58.66 -34.02 70.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -52.82 -44.63 66.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.0 -50.03 70.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.3 t -45.05 -56.2 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.6 t -46.83 -42.04 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.17 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -69.81 -45.99 66.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.728 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 55.6 t80 -46.74 -45.06 19.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -67.02 -40.95 87.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 89.9 t -58.44 -50.96 76.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 t -72.35 -48.38 42.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -43.84 -54.64 5.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 67.5 p -82.19 144.74 30.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -70.39 -67.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -41.92 163.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.63 109.69 19.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.099 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.0 tp -91.51 111.14 22.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.5 t -85.39 123.03 73.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.66 0.743 . . . . 0.0 111.065 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 144.58 54.29 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.722 2.281 . . . . 0.0 112.321 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.503 ' CD1' HD23 ' A' ' 26' ' ' LEU . 1.8 t80 -83.65 114.0 21.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.7 tp -122.86 138.41 54.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.87 117.53 22.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.966 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 p -63.4 123.71 19.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.923 0.392 . . . . 0.0 110.833 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 t -91.92 -45.38 8.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.53 -114.64 6.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t 55.9 45.1 24.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -76.47 149.11 36.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.05 74.27 0.74 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' LEU . 65.7 mt-10 -61.14 178.59 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.38 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 10' ' ' LEU . 1.8 m -35.13 -34.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 9' ' ' VAL . 12.9 tp 33.5 50.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -110.33 4.55 20.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.14 2.84 32.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.69 -59.28 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -132.21 178.33 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -154.93 128.06 8.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.049 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -94.66 -14.67 24.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -50.95 171.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.812 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.39 48.27 3.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.79 -17.97 23.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.82 -38.32 15.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -110.02 152.64 43.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 111.134 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 159.61 52.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.635 2.223 . . . . 0.0 112.325 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.5 p -61.8 -38.57 88.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.0 m -53.88 -24.33 15.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.818 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 3.5 t80 -76.07 150.2 37.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.614 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -152.36 156.22 39.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -98.38 105.2 17.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -153.36 154.82 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.411 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 1.6 m -54.07 161.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.819 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.464 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -71.04 -26.31 63.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.87 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.413 ' HG ' ' NH1' ' A' ' 30' ' ' ARG . 11.6 mt -87.56 -20.86 25.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 35' ' ' LEU . 22.7 mt-10 -80.73 -58.68 2.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -36.5 -35.69 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -66.76 -44.29 81.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -66.79 -40.03 88.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.5 mt -47.36 -29.95 2.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.4 mt -65.47 -67.21 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -50.98 -26.29 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.555 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 48.3 mmt-85 -71.73 -50.28 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.817 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 2.8 m-85 -125.08 80.49 64.17 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.69 0.757 . . . . 0.0 110.927 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -47.19 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.632 2.221 . . . . 0.0 112.399 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.49 -37.83 63.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.65 -46.97 83.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 154.49 -178.73 31.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.539 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -122.67 -29.52 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 115' ' ' PHE . 6.7 tp -78.94 126.24 30.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.406 HD11 ' N ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -151.21 163.47 38.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.837 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.406 ' N ' HD11 ' A' ' 47' ' ' LEU . 6.9 mp -124.83 124.58 42.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.464 ' CD ' ' HA ' ' A' ' 30' ' ' ARG . 41.6 ptt85 -118.35 151.49 49.54 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.646 0.736 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 123.21 9.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.356 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 t -67.65 146.52 53.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.52 -75.08 0.9 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -106.47 128.06 53.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.881 0.372 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.59 -64.21 0.51 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.57 166.7 22.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -86.97 97.35 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.09 -148.74 5.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.459 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 p -141.11 133.52 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 111.093 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.417 ' OG ' ' CG ' ' A' ' 49' ' ' ARG . 4.7 p -88.33 159.45 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.3 t -125.06 93.66 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.9 m -82.74 116.9 22.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.7 p -127.65 124.66 38.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -119.21 83.49 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 65' ' ' MET . 4.9 tp60 -92.63 144.74 25.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.457 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 2.4 ttt -72.88 112.24 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -126.62 145.0 50.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 m120 43.08 34.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 51.59 43.77 53.4 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.428 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -140.22 165.73 26.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 111.118 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -95.3 104.85 16.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.4 t -129.38 132.83 66.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.12 131.61 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -119.1 160.46 22.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -140.59 130.8 24.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -114.45 146.17 40.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 77' ' ' VAL . 6.9 tmtm? -105.42 143.32 33.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.414 ' N ' ' HD3' ' A' ' 76' ' ' LYS . 92.3 t -117.72 122.29 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 79' ' ' ARG . 12.0 ttmm -86.56 153.8 21.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.462 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -111.3 108.24 17.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -134.72 104.13 5.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.53 -157.36 53.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -0.41 6.85 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.362 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -126.81 156.24 41.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -117.28 121.44 41.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.0 t -91.55 138.09 20.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.64 ' CD1' ' CD1' ' A' ' 103' ' ' TYR . 25.0 mt -81.96 135.63 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.31 76.26 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.0 m -142.02 178.12 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 88' ' ' VAL . 14.5 mt-10 -35.03 -56.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -110.79 130.48 22.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 88.19 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.659 2.239 . . . . 0.0 112.428 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.665 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 73.8 t80 -81.04 121.53 26.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 90.8 p -77.92 146.18 35.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 24.7 m -137.29 114.83 11.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.06 -36.49 65.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.1 m -155.62 172.11 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 26.0 mt -56.91 -30.45 63.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.58 -43.33 75.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.16 -55.38 25.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.059 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.1 t -38.24 -53.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 41.1 t -51.8 -48.66 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -64.12 -54.75 29.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.665 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 8.3 t80 -43.45 -44.99 6.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -70.68 -43.41 69.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 37.1 t -45.04 -45.76 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.6 t -90.39 -47.69 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.779 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 108' ' ' THR . 81.9 t60 -48.92 -64.69 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 107' ' ' HIS . 40.9 p -36.06 -64.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -149.67 -178.13 6.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -46.35 -37.95 8.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -165.57 132.09 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 46' ' ' LEU . 7.4 tp -125.58 160.27 30.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.7 t -113.3 128.63 25.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.676 0.75 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 164.29 35.12 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' LEU . 33.8 t80 -115.98 122.05 44.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 16.4 tp -128.63 149.07 50.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.29 107.75 6.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.861 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -168.4 169.18 10.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.915 0.388 . . . . 0.0 110.83 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -169.75 170.52 7.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.62 -84.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 m 62.81 41.69 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.915 0.388 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 p -159.36 147.75 17.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.55 50.29 4.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -72.35 -4.56 30.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.934 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.9 t -78.53 -25.32 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.5 mt -91.27 103.39 16.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.14 -175.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -56.03 123.89 15.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -150.82 128.77 11.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -153.94 168.74 25.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.73 118.24 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -114.1 21.92 14.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -77.62 47.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.67 71.83 3.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.047 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.6 mt -109.52 -63.18 1.39 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -38.72 -37.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -137.38 148.85 63.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.612 0.72 . . . . 0.0 111.212 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 146.9 61.83 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.312 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.2 m -48.73 -40.29 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 p -47.48 -43.41 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 67.7 t80 -50.05 152.97 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.48 152.39 31.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -90.91 104.94 17.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 m -150.87 163.1 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -76.56 -176.94 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -66.09 -43.12 88.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' GLN . 11.1 mt -81.73 -52.3 7.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -36.75 -39.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.21 -45.19 61.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' LEU . 15.9 tt0 -55.74 -37.78 68.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.63 -24.17 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 mt -67.85 -20.74 65.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.6 mt -76.08 -67.12 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -54.25 -30.8 51.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -70.85 -38.46 73.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -131.17 70.18 82.3 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.681 0.753 . . . . 0.0 110.915 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -37.37 9.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.238 . . . . 0.0 112.386 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.05 -27.14 68.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -85.59 37.93 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.74 179.98 46.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -132.92 -52.62 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 110.864 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.9 tp -50.07 89.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.6 OUTLIER -114.19 143.17 45.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.3 mp -108.88 119.27 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 -116.6 136.84 23.25 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.4 Cg_endo -69.79 125.01 11.63 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m -70.73 -65.28 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . -166.5 -143.37 3.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.514 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' GLY . 8.5 p-10 -35.01 -41.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -48.88 98.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.57 -27.46 16.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 111.068 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.71 29.25 2.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.49 111.62 0.3 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.458 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.2 m -107.21 177.21 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 111.056 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -104.41 143.4 33.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.84 115.13 46.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.441 HG21 ' CE1' ' A' ' 74' ' ' HIS . 29.5 m -97.25 113.29 24.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.9 p -125.68 131.67 52.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -110.46 92.29 3.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -95.65 -175.5 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.6 mtp -126.28 107.58 10.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -122.57 127.98 50.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 t30 67.18 27.37 8.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.24 39.34 97.06 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -140.83 160.03 40.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 0.0 111.147 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 70' ' ' HIS . 5.3 p80 -83.17 116.2 22.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.0 m -122.5 147.88 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.431 HG11 ' CE1' ' A' ' 74' ' ' HIS . 58.4 t -133.69 111.3 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.77 134.4 55.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.441 ' CE1' HG21 ' A' ' 61' ' ' THR . 19.7 m-70 -114.21 116.69 29.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -84.01 145.9 28.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -112.67 127.99 56.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.5 t -94.21 107.08 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -62.64 160.84 13.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.421 ' HD2' ' C ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -113.51 111.93 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.28 79.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.15 -150.98 43.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 -0.85 7.59 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.687 2.258 . . . . 0.0 112.295 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -112.35 159.82 18.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.935 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -115.72 111.86 21.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.9 t -90.6 132.95 33.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.5 mt -83.79 155.14 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -96.44 71.53 2.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.4 m -138.23 172.8 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -38.19 -50.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -105.18 130.39 23.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.558 0.694 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 85.5 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.374 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.571 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 80.8 t80 -89.67 116.59 27.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.4 p -102.92 166.79 10.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.54 ' SG ' ' CE2' ' A' ' 92' ' ' PHE . 38.1 m -159.06 161.64 36.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.9 p -83.89 -48.53 9.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 80.0 p -116.04 165.68 12.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 98' ' ' ASP . 13.5 mt -64.83 -48.95 72.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -37.81 -61.92 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -42.44 -43.68 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.4 t -56.32 -46.25 81.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 47.4 t -55.97 -41.86 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -65.35 -55.2 19.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.571 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 30.8 t80 -39.56 -65.48 0.38 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 103' ' ' TYR . 10.1 m-85 -35.55 -56.29 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 62.0 t -39.64 -54.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.0 t -70.47 -45.59 65.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 76.4 t60 -45.87 -56.58 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.5 p -54.54 -174.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.29 7.36 9.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.52 169.58 14.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.06 97.69 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.6 mt -93.17 157.12 16.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 114' ' ' PRO . 95.5 t -129.62 138.9 34.14 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.596 0.712 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 113' ' ' VAL . 54.3 Cg_endo -69.76 147.82 63.73 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.679 2.253 . . . . 0.0 112.394 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 5.5 t80 -101.37 138.44 38.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 58.5 tp -147.87 158.4 44.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.401 HD12 ' C ' ' A' ' 117' ' ' LEU . 0.5 OUTLIER -137.69 117.91 13.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 179.86 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.2 p -152.95 134.22 14.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 p -59.66 143.56 50.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.69 43.39 1.81 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 m -153.75 144.44 22.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.897 0.379 . . . . 0.0 110.817 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -83.65 91.61 7.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.81 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.76 77.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -56.71 -12.74 2.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.915 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.4 m -143.68 118.11 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.13 52.04 2.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.8 -2.03 4.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.43 34.18 5.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -95.66 162.74 13.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 16' ' ' ARG . 28.4 mt-10 -84.16 -25.0 29.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 38.3 26.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.082 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -59.19 -14.49 10.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -100.91 86.7 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -130.36 50.62 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -88.7 24.78 1.91 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.981 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -89.39 -59.33 2.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.421 HG21 ' CD1' ' A' ' 97' ' ' LEU . 1.1 p -146.22 148.33 34.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.518 0.675 . . . . 0.0 111.213 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 146.03 59.14 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.73 2.287 . . . . 0.0 112.386 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.3 m -46.78 -49.04 20.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.3 p -42.02 -43.95 3.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -49.38 152.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 115' ' ' PHE . 0.3 OUTLIER -152.42 151.72 31.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -92.38 104.83 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.56 175.04 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.095 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.8 p -86.73 160.54 18.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' NH2' ' CG ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -57.8 -21.28 41.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.0 mt -87.34 -55.99 3.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -48.05 -58.31 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -34.06 -38.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -67.96 -51.52 46.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -56.17 -41.47 75.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.517 HD23 ' CZ ' ' A' ' 115' ' ' PHE . 2.5 mp -50.91 -26.57 6.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.7 mt -74.62 -66.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -54.97 -35.87 64.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.565 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 6.3 mmm-85 -73.76 -51.25 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -119.13 76.59 15.86 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.674 0.75 . . . . 0.0 110.93 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -45.97 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.588 2.192 . . . . 0.0 112.363 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -54.97 -39.49 69.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.2 m -52.01 -43.82 63.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.35 178.49 23.53 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.06 -38.68 2.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.379 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.5 tp -74.67 92.11 2.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.02 134.63 54.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.3 mp -101.87 119.33 38.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.408 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 41.8 ptt85 -115.57 152.28 47.01 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.634 0.73 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 148.04 64.5 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.65 2.233 . . . . 0.0 112.414 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.6 p -42.46 -53.94 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.78 -51.15 4.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.431 ' CG ' ' NH2' ' A' ' 30' ' ' ARG . 29.5 p-10 -156.52 177.62 11.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 0.0 110.839 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.74 -59.9 4.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.52 176.02 13.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.825 0.345 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -90.94 94.35 9.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.25 -157.92 9.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.9 t -139.77 138.85 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 111.061 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.6 t -107.64 146.21 32.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -119.1 116.43 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.5 m -97.73 128.71 44.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 79.4 p -135.38 124.73 24.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.404 ' NH2' ' HB3' ' A' ' 70' ' ' HIS . 13.0 tpt85 -105.77 100.97 10.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -105.97 178.05 4.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.1 tpt -115.34 110.0 18.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -132.48 148.43 52.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.78 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 39.3 41.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 43.06 42.81 5.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.3 t -140.31 148.14 40.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 111.117 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.404 ' HB3' ' NH2' ' A' ' 63' ' ' ARG . 6.9 p80 -75.97 112.07 12.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.48 139.48 51.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.4 t -127.65 120.22 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.42 ' HD3' ' N ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -109.51 145.01 36.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' A' ' 74' ' ' HIS . 1.8 p80 -128.04 105.73 8.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.416 ' CZ ' ' HD2' ' A' ' 73' ' ' ARG . 98.3 m-85 -81.13 141.01 34.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -103.14 160.66 14.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 78.2 t -129.95 132.62 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -100.49 151.46 21.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -96.63 97.89 9.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.27 85.24 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.15 -153.16 49.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -3.51 12.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.749 2.299 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.38 166.56 13.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -117.32 138.79 51.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.0 m -109.23 134.57 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.505 ' CD1' ' CD1' ' A' ' 103' ' ' TYR . 52.6 mt -79.89 154.0 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.4 64.56 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 89' ' ' GLU . 30.0 m -131.81 179.54 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' VAL . 4.5 tt0 -34.36 -58.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -114.25 143.06 29.05 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 85.01 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.403 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.575 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 30.3 t80 -66.44 106.38 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.5 p -75.92 143.58 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.1 p -145.9 141.8 28.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 96' ' ' SER . 10.0 t -66.35 -41.9 88.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.447 ' N ' HG23 ' A' ' 95' ' ' THR . 70.7 m -143.13 176.48 9.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.798 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.421 ' CD1' HG21 ' A' ' 21' ' ' THR . 9.5 mt -61.93 -45.05 95.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 97' ' ' LEU . 1.5 t70 -38.24 -55.61 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -50.65 -52.94 35.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 99.9 t -41.43 -50.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 69.4 t -52.72 -49.75 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -60.64 -43.14 97.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.575 ' CD2' ' CD1' ' A' ' 92' ' ' PHE . 56.3 t80 -52.09 -51.44 57.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -61.94 -55.39 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 94.7 t -39.27 -48.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.7 t -76.64 -54.13 7.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -44.29 -62.25 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.8 t -46.56 148.75 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -67.69 -60.59 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.33 157.78 26.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.41 88.49 6.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.163 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.1 mp -68.2 139.78 56.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 18.3 t -94.05 131.18 32.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.634 0.73 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.89 130.66 19.56 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.292 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.569 ' CD1' HD22 ' A' ' 26' ' ' LEU . 3.3 t80 -80.69 127.44 32.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.9 tp -143.24 144.67 32.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tt -130.48 109.91 11.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -70.67 106.34 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.38 . . . . 0.0 110.775 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -41.24 -57.74 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.53 98.94 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 m -110.94 175.03 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.819 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -114.43 42.27 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.44 98.52 0.34 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.443 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.413 ' C ' HG12 ' A' ' 9' ' ' VAL . 29.2 mm-40 -48.31 -18.99 0.26 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.857 0.361 . . . . 0.0 110.865 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.473 HG21 ' N ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -173.64 143.34 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.473 ' N ' HG21 ' A' ' 9' ' ' VAL . 5.8 tt -134.9 97.25 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.26 3.66 32.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 23.14 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -116.74 130.16 56.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -152.62 155.14 36.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.32 93.05 3.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.055 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -84.72 21.23 1.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 -91.22 59.55 3.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.94 43.1 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' GLU . 5.6 mp -107.39 -52.5 2.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' LEU . 18.5 mt-10 -36.05 -58.81 0.64 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 p -140.75 151.83 64.14 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.568 0.699 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 134.45 27.9 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.729 2.286 . . . . 0.0 112.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.7 m -38.91 -51.18 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.9 p -40.11 -44.47 1.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -45.98 153.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.29 151.12 30.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.5 104.99 17.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 m -152.29 170.79 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.179 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.8 m -81.01 165.3 21.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 4.6 ptp180 -50.87 -34.56 28.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 32' ' ' GLU . 12.9 mt -85.84 -53.81 4.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' LEU . 15.8 mm-40 -37.44 -40.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.29 -48.45 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.076 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -57.15 -52.25 66.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.408 HD12 ' C ' ' A' ' 35' ' ' LEU . 1.9 pp -63.06 -31.57 72.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.62 -32.88 74.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.436 ' CD2' HD23 ' A' ' 47' ' ' LEU . 95.3 mt -72.37 -65.78 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 8.4 pt-20 -40.09 -34.54 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 28.1 mtt85 -73.76 -51.02 17.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -114.08 76.52 3.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.689 0.757 . . . . 0.0 110.974 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -45.47 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.657 2.238 . . . . 0.0 112.337 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -61.67 -46.12 91.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 m -45.74 -55.96 5.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.59 157.53 17.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.437 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -115.31 -39.47 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.797 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.8 97.51 3.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.956 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.436 HD23 ' CD2' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -117.83 148.24 42.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mp -114.49 115.92 28.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.427 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 6.5 ptm180 -113.35 145.19 32.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.83 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 130.57 19.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.719 2.28 . . . . 0.0 112.35 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.0 t -124.07 119.36 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.09 -147.03 5.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.71 41.97 14.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.37 -45.66 1.12 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.547 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.86 -42.79 69.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 59.68 44.88 13.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.43 -155.95 7.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.0 t -119.76 145.02 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m -114.19 150.11 34.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.4 t -115.69 123.22 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.4 m -112.15 117.99 34.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.184 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.6 p -115.09 142.11 47.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.09 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.54 85.03 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -98.89 140.03 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 8.4 tpt -84.62 107.23 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 67' ' ' ASN . 3.7 t-160 -69.81 -178.88 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' HIS . 6.0 t-20 -33.66 -39.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -177.42 35.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.449 ' CG2' ' HB3' ' A' ' 66' ' ' HIS . 6.1 t -141.32 155.41 45.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 111.167 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -100.43 103.96 15.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.3 t -118.82 133.53 65.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.4 t -119.53 119.89 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -98.15 171.62 8.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -145.1 135.97 24.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -126.6 160.76 29.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -129.51 164.02 24.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.2 t -133.37 144.7 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.191 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -107.86 175.48 5.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.74 93.63 4.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -117.32 85.28 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.23 -155.52 51.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 3.02 3.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.246 . . . . 0.0 112.307 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.7 154.86 43.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -111.52 144.13 41.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.1 m -119.52 115.5 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.2 mt -55.71 151.48 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.93 59.74 5.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' GLU . 10.7 m -126.79 168.48 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' VAL . 49.9 mm-40 -36.62 -45.9 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -113.32 124.67 30.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 86.36 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -66.78 102.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.1 m -88.36 130.71 35.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 28.6 p -137.26 -179.73 5.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.1 t -73.92 -38.56 64.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.4 p -168.13 165.88 13.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 98' ' ' ASP . 15.9 mt -39.57 -42.65 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' LEU . 33.3 t70 -36.41 -49.56 0.72 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.28 -50.15 72.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.065 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.8 t -43.37 -53.24 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.7 t -44.93 -46.05 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -74.2 -43.1 58.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -48.8 -46.06 41.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.987 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -61.37 -52.75 63.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 87.8 t -49.05 -61.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.185 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.3 t -58.74 -51.26 70.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -43.96 -58.62 2.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.42 ' CG2' HD13 ' A' ' 112' ' ' LEU . 81.5 p -65.49 135.75 55.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -51.75 -33.73 36.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -94.86 158.84 15.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.807 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -83.01 98.02 9.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.42 HD13 ' CG2' ' A' ' 108' ' ' THR . 84.9 mt -69.95 107.04 3.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.5 t -76.62 132.12 72.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.562 0.696 . . . . 0.0 111.148 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 151.93 69.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -106.7 133.71 50.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 41.5 tp -140.11 147.38 40.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -145.02 111.31 5.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.868 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -139.4 144.93 38.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.943 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -138.35 168.49 19.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.52 140.24 3.5 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 t -164.81 137.44 4.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.905 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -103.43 173.6 6.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.67 56.12 3.8 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -76.61 -4.35 42.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.1 t -109.95 -31.49 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.407 ' HG ' ' CG ' ' A' ' 13' ' ' GLU . 11.7 tp -87.74 44.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.77 1.31 50.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.86 35.05 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 11.6 mm-40 -90.02 132.01 35.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -151.64 -177.08 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.59 163.79 36.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -130.3 21.29 5.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -77.03 55.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.04 48.23 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.85 34.77 2.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -114.34 -44.53 3.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -132.03 150.45 76.13 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.655 0.741 . . . . 0.0 111.086 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.06 15.16 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 t -74.99 -37.25 61.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -57.73 -37.13 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -55.43 146.82 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.56 153.13 32.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -93.63 104.8 16.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.3 m -150.38 171.75 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 m -95.97 144.31 26.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 27.8 ptt180 -42.41 -42.1 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.431 ' CD2' ' H ' ' A' ' 31' ' ' LEU . 2.0 mm? -51.34 -57.71 8.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 35' ' ' LEU . 15.3 mm-40 -66.44 -61.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -33.84 -38.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 32' ' ' GLU . 6.0 tt0 -64.94 -48.51 73.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -77.38 -19.23 56.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.94 -20.08 64.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.1 mt -75.25 -58.47 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -37.75 72.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -60.69 -56.05 25.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -116.3 78.14 7.94 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.664 0.745 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -50.15 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.629 2.219 . . . . 0.0 112.358 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -51.28 -28.57 12.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.4 m -84.34 35.69 0.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.79 -176.07 11.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -128.82 -29.46 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 115' ' ' PHE . 10.9 tp -64.19 98.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 115' ' ' PHE . 0.7 OUTLIER -123.55 153.85 40.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.998 179.867 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.1 mp -115.8 123.63 48.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.4 ptt85 -122.59 147.5 50.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.561 0.696 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 127.34 14.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.2 p -95.72 169.19 10.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -137.99 -62.88 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -81.9 102.29 10.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.12 -58.74 0.44 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -167.06 172.94 9.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.838 0.351 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -93.5 84.55 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.8 -134.87 1.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.8 p -145.33 143.13 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 111.1 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 m -95.99 155.0 16.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.27 108.79 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.9 m -89.61 112.62 23.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.1 p -122.6 118.77 28.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.2 ttp85 -108.88 92.17 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -82.64 -176.96 6.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.0 tpt -128.58 105.22 8.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 68' ' ' GLY . 4.0 t-160 -105.97 -173.9 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' HIS . 0.4 OUTLIER -33.32 93.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 66' ' ' HIS . . . 35.37 34.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.561 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.44 ' CG2' ' HB3' ' A' ' 66' ' ' HIS . 11.3 t -139.92 131.99 27.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.81 0.338 . . . . 0.0 111.189 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -96.9 107.67 20.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.88 145.07 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 68.1 t -124.36 96.72 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -96.99 153.72 17.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -128.08 121.67 30.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -108.25 121.57 45.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -93.43 140.2 29.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.1 t -113.42 115.37 49.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.156 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 85' ' ' VAL . 20.3 ttpt -69.48 156.98 38.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -108.14 128.43 54.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -150.02 105.85 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.01 -157.48 35.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.47 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 -6.97 19.82 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.792 2.328 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.9 pttm -110.42 152.64 26.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -102.04 140.9 35.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 78' ' ' LYS . 69.7 t -116.48 130.31 71.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.5 mt -86.67 142.19 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 4.7 t70 -89.01 66.09 7.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.46 ' O ' ' C ' ' A' ' 89' ' ' GLU . 4.1 m -132.97 -175.88 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 88' ' ' VAL . 2.9 pt-20 -33.25 -62.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -111.68 138.75 21.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.511 0.672 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 86.57 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.683 2.255 . . . . 0.0 112.285 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 103' ' ' TYR . 45.3 t80 -74.73 112.48 10.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.1 p -98.57 137.58 37.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.449 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . 21.5 p -126.65 -175.11 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.0 t -100.94 -14.74 17.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' LEU . 76.8 p -168.91 143.44 3.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' SER . 0.8 OUTLIER -32.89 -49.78 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 97' ' ' LEU . 9.7 t0 -36.22 -64.38 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 102' ' ' ASN . . . -38.94 -52.88 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.089 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.5 t -39.45 -44.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.183 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.02 -36.19 74.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 99' ' ' ALA . 16.3 m-80 -72.81 -39.77 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.475 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 60.1 t80 -44.06 -49.62 8.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 106' ' ' SER . 49.4 m-85 -59.9 -57.77 11.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 104' ' ' PHE . 98.8 t -35.86 -33.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 104' ' ' PHE . 1.7 t -90.29 -52.99 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 107' ' ' HIS . 1.9 t60 -50.11 -52.46 34.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 107' ' ' HIS . 6.9 t -34.27 131.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 110' ' ' LYS . 20.4 ptmt -43.69 -45.59 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 109' ' ' LYS . 10.2 mmmt -116.85 -69.76 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -163.34 174.87 11.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 tp -162.35 110.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 91.2 t -77.13 134.41 67.64 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.66 0.743 . . . . 0.0 111.108 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.23 19.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.256 . . . . 0.0 112.39 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 46' ' ' LEU . 18.7 t80 -118.99 113.91 21.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.3 tp -126.21 143.09 51.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.55 106.8 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.98 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.903 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 m -161.05 150.81 17.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.938 0.399 . . . . 0.0 110.801 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 m -164.01 171.67 14.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.85 111.64 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.51 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 p -162.91 172.15 15.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.895 0.379 . . . . 0.0 110.889 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' GLY . 81.0 p -130.23 103.08 6.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.73 79.43 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.51 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -68.15 -7.73 32.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.08 111.81 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 tt -137.98 107.38 6.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.07 2.8 12.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.426 ' NZ ' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -68.68 -12.94 62.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -108.08 127.24 53.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -149.74 171.82 16.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -152.34 151.95 31.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 17' ' ' ARG . 24.9 ptt180 -123.83 -14.85 7.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 16' ' ' ARG . 12.1 ptm180 34.11 53.21 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.03 43.06 2.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.67 -37.59 15.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -127.86 -39.27 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -123.91 149.13 58.92 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.57 0.7 . . . . 0.0 111.146 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 157.36 60.8 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 m -56.75 -48.56 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.6 p -40.28 -45.22 2.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.563 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 6.6 t80 -46.96 148.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -152.53 152.15 31.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -90.79 104.82 17.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 m -151.86 166.26 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.0 m -89.42 151.81 21.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -38.74 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -60.31 -46.88 88.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 34' ' ' GLN . 14.1 mm-40 -68.5 -64.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -34.06 -33.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' GLU . 38.1 tt0 -73.17 -68.05 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.42 ' C ' HD13 ' A' ' 35' ' ' LEU . 3.2 pp -52.35 -26.69 12.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.36 -26.66 63.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.3 mt -72.1 -60.31 2.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 8.5 pt-20 -62.07 -38.43 88.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 15.5 mtp85 -59.48 -54.3 48.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -117.0 81.01 11.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.637 0.732 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 -36.2 11.13 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.339 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -67.79 -54.22 20.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.1 m -39.47 -46.17 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 154.77 -175.9 32.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -132.32 -32.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.471 ' HB2' ' CD2' ' A' ' 112' ' ' LEU . 10.5 tp -78.79 90.77 4.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.16 157.84 20.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.8 mp -124.49 115.8 21.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.06 140.61 37.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.549 0.69 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.563 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.72 132.91 24.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.7 t -67.74 114.39 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.31 -158.65 53.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.71 81.82 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.57 88.12 1.81 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.05 159.2 42.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.56 86.48 4.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 128.32 175.5 14.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 59' ' ' SER . 7.8 p -136.51 158.1 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 111.191 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 58' ' ' VAL . 1.8 m -111.17 156.99 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.33 121.84 68.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 m -102.69 106.0 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.0 p -121.94 139.35 53.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.7 ttp85 -131.75 92.37 3.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.8 mp0 -90.68 154.37 19.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.4 tpt -79.93 121.47 25.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -148.33 143.68 27.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.819 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 44.47 41.09 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 43.68 38.45 4.25 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.5 t -139.74 156.0 47.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.84 0.352 . . . . 0.0 111.135 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -91.95 106.56 18.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.796 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.0 p -111.52 133.82 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.14 119.04 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -110.42 159.65 17.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -130.51 140.13 50.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -129.73 118.25 21.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -92.66 148.23 22.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.1 t -123.5 123.27 67.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.7 150.07 32.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -111.76 104.67 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -144.33 114.68 7.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.39 -165.35 54.34 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.445 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.89 2.02 3.99 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.606 2.204 . . . . 0.0 112.284 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.01 167.04 18.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -126.62 107.84 10.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.0 m -79.47 115.11 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.081 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.486 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 64.8 mt -56.65 153.31 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.451 ' N ' HG22 ' A' ' 86' ' ' ILE . 3.3 t70 -87.7 64.34 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 89' ' ' GLU . 2.1 m -127.84 178.3 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' VAL . 0.5 OUTLIER -34.12 -47.65 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -124.19 140.21 34.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 91.94 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.738 ' CD2' ' CD1' ' A' ' 103' ' ' TYR . 34.4 t80 -74.85 102.57 4.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.1 p -71.24 116.18 11.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.804 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 26.6 p -114.21 131.04 56.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.0 p -59.15 -36.07 74.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 t -153.04 179.07 9.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.12 -45.2 86.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.33 -49.04 9.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -54.3 -38.77 66.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.9 t -52.97 -45.16 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 66.0 t -57.28 -34.33 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -82.06 -22.83 36.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.738 ' CD1' ' CD2' ' A' ' 92' ' ' PHE . 90.6 t80 -54.3 -51.34 64.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -73.69 -37.49 65.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.6 t -42.8 -52.52 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.201 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -58.39 -67.24 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.809 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.444 ' NE2' ' O ' ' A' ' 103' ' ' TYR . 2.8 m-70 -41.44 -68.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 109' ' ' LYS . 72.4 p -36.84 155.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 108' ' ' THR . 15.0 tptt -33.29 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.29 -52.91 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -175.12 159.79 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.056 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 46' ' ' LEU . 9.8 tp -116.75 115.27 25.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.57 119.09 29.97 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.561 0.696 . . . . 0.0 111.222 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.98 18.59 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.71 2.273 . . . . 0.0 112.306 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -79.17 140.5 37.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.5 tp -147.44 131.9 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.421 HD11 ' C ' ' A' ' 117' ' ' LEU . 0.4 OUTLIER -122.99 112.24 17.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.962 179.882 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.863 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 p -170.59 136.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.825 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 t -169.4 166.82 10.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.62 49.28 0.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -173.47 114.49 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -37.99 -44.19 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.62 83.43 0.14 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.436 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -98.21 -4.51 35.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -92.32 -30.79 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.53 107.26 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -37.06 -72.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -163.49 105.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -66.44 169.05 7.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -124.72 153.27 42.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -157.48 165.85 34.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.86 25.08 6.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -55.57 96.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.66 44.43 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.8 mt -74.4 -61.38 1.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.405 ' HG3' ' CG2' ' A' ' 21' ' ' THR . 4.7 pt-20 -60.23 -40.76 91.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.405 ' CG2' ' HG3' ' A' ' 20' ' ' GLU . 1.2 p -123.34 150.7 61.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.573 0.702 . . . . 0.0 111.092 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 146.94 61.27 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.688 2.258 . . . . 0.0 112.317 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.2 m -43.1 -48.01 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.3 m -38.26 -44.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.481 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 51.6 t80 -50.54 154.63 1.27 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.25 152.93 32.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -94.74 104.97 16.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 m -148.67 175.22 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.2 m -82.5 160.34 22.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 3.7 tmt_? -56.07 -42.37 76.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.82 -45.15 53.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -53.59 -60.21 3.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.89 -30.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -73.52 -45.73 51.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.411 ' C ' HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -70.04 -33.34 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.81 -16.61 1.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.54 -56.38 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.61 -31.7 70.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -73.8 -51.93 14.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -119.54 71.45 13.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 110.997 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -44.84 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -60.14 -26.71 66.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.7 m -65.48 -43.11 91.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.07 167.34 21.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -118.87 -27.95 5.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 tp -90.33 97.72 11.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.41 ' CB ' ' HB3' ' A' ' 115' ' ' PHE . 0.9 OUTLIER -116.81 157.2 25.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.977 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.8 mp -120.36 118.54 30.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.469 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 7.4 ptm180 -116.17 148.05 40.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.662 0.744 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.481 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.9 150.61 67.59 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.284 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.7 t -102.71 107.85 18.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.67 -137.21 46.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -125.16 -54.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -108.39 76.77 0.22 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.469 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -137.4 164.2 29.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.75 0.31 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.06 88.31 2.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.827 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.62 147.38 7.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.2 m -102.83 170.44 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -112.44 139.3 48.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.4 t -99.57 128.97 50.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 60.8 m -110.52 105.42 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.8 p -119.4 138.13 53.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -123.24 95.67 4.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.92 140.81 31.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.2 tpt -73.55 98.37 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -121.32 142.91 49.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 45.34 28.89 0.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 54.87 36.81 60.71 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.422 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.402 HG21 ' CG2' ' A' ' 71' ' ' VAL . 5.1 t -139.7 135.47 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.925 0.393 . . . . 0.0 111.163 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -62.83 119.41 9.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.826 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.402 ' CG2' HG21 ' A' ' 69' ' ' THR . 46.4 t -135.68 131.42 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 62.1 t -115.34 115.13 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.9 tpt85 -99.67 134.99 41.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -111.04 129.87 55.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -115.64 126.53 54.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -93.19 131.52 38.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.972 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.6 t -95.58 115.86 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -63.31 179.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.1 tpt85 -142.21 106.68 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -144.11 113.95 7.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 56.8 -159.98 8.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.533 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 2.5 3.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -122.64 169.55 10.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -119.7 173.63 6.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 t -142.18 131.1 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.4 mt -76.25 154.95 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -89.52 43.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 18.9 m -111.36 -179.8 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -40.72 -64.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -97.26 133.37 24.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.611 0.719 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 81.02 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -65.49 124.63 22.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.4 p -97.88 145.94 25.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.404 ' SG ' ' CG2' ' A' ' 100' ' ' VAL . 13.1 p -145.71 160.79 41.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.813 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.1 p -80.97 -40.4 24.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -146.86 155.15 42.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.4 mt -43.55 -38.61 3.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.89 -59.55 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.22 -49.9 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.404 ' CG2' ' SG ' ' A' ' 94' ' ' CYS . 71.6 t -45.78 -53.78 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 73.2 t -44.75 -45.12 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -68.93 -48.75 62.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -38.93 -50.04 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.995 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -63.77 -43.98 94.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 70.2 t -49.23 -34.62 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.6 t -87.36 -56.65 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' A' ' 107' ' ' HIS . 2.3 t60 -43.58 -53.34 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.6 t -47.12 136.43 8.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 110' ' ' LYS . 4.6 ptmm? -47.85 -43.75 28.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 111' ' ' ALA . 18.4 mtpp -122.95 123.37 40.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 110' ' ' LYS . . . -34.59 113.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.049 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.3 tp -91.12 157.57 17.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.1 t -106.04 133.02 20.41 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.651 0.739 . . . . 0.0 111.148 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 165.33 31.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.342 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.41 ' HB3' ' CB ' ' A' ' 47' ' ' LEU . 60.0 t80 -111.11 133.77 53.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.1 tp -148.54 134.36 18.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.91 108.9 12.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 m -114.37 158.65 21.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.398 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 t -94.56 -58.7 2.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.88 145.58 4.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -106.04 156.37 18.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.844 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -86.04 88.46 7.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.14 75.32 0.55 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -58.87 -10.95 2.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.6 m -140.07 113.82 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 tt -133.3 51.11 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.87 4.71 14.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.81 19.9 6.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -81.91 166.8 19.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 52.42 25.07 3.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.46 23.7 14.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -81.84 -11.33 59.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 6.5 mpt_? -77.91 102.66 7.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.5 44.05 2.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -100.9 -39.72 7.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -61.5 -47.86 83.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 p -143.65 152.33 55.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.594 0.711 . . . . 0.0 111.118 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 155.11 66.75 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.266 . . . . 0.0 112.358 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -54.64 -53.92 48.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.9 m -40.01 -41.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -45.48 152.5 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.18 154.85 36.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' CD ' ' HG3' ' A' ' 50' ' ' PRO . 27.6 mmtp -99.19 104.74 16.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.408 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 3.7 m -148.05 173.55 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.6 m -85.39 148.95 25.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 10.4 ptp85 -44.61 -46.13 9.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 22.8 mt -71.63 -39.2 70.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 35' ' ' LEU . 44.6 mt-10 -60.47 -60.33 3.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -34.59 -37.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.45 -46.1 74.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -57.98 -31.45 66.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 115' ' ' PHE . 2.5 mp -72.35 -32.82 66.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' CD2' HD22 ' A' ' 47' ' ' LEU . 75.8 mt -56.4 -41.74 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -88.33 -47.25 8.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.494 ' HD2' ' CD1' ' A' ' 35' ' ' LEU . 6.5 mtt85 -51.05 -49.08 61.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.561 ' CE2' HD11 ' A' ' 117' ' ' LEU . 8.8 m-85 -109.9 80.95 1.87 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 110.914 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -19.17 36.25 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 43' ' ' CYS . 16.7 pt-20 -83.46 -46.44 12.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 69.3 m -44.43 -56.11 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 149.28 -171.13 29.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -119.35 -41.86 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.72 90.91 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.461 ' HB3' ' CB ' ' A' ' 115' ' ' PHE . 1.4 pp -117.73 138.13 52.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mp -97.83 129.97 44.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.455 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 8.8 ptm180 -121.92 152.42 59.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.608 0.718 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.45 ' HG3' ' CD ' ' A' ' 27' ' ' LYS . 54.2 Cg_endo -69.74 126.67 13.59 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.6 t -81.28 150.12 28.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . -141.29 -100.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -34.52 -48.82 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.331 . . . . 0.0 110.802 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.37 -66.16 2.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -170.09 176.43 4.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.071 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.57 97.68 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.71 -140.49 4.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.5 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 59' ' ' SER . 86.9 t -138.29 140.32 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.416 ' N ' HG11 ' A' ' 58' ' ' VAL . 5.0 m -111.8 160.51 17.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.9 t -121.75 136.6 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.17 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.0 m -120.06 122.1 40.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.4 p -128.85 142.83 50.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.155 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.4 tpp85 -103.8 88.21 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -112.28 129.21 56.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.4 ptm -90.86 136.11 33.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.463 ' O ' ' CG2' ' A' ' 69' ' ' THR . 73.5 t60 -129.42 159.32 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 41.69 33.02 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.51 41.04 99.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.439 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 66' ' ' HIS . 10.1 t -141.27 150.81 43.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 111.103 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.403 ' C ' HG22 ' A' ' 71' ' ' VAL . 79.8 m-70 -81.41 109.44 15.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.826 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.403 HG22 ' C ' ' A' ' 70' ' ' HIS . 67.8 t -139.71 135.49 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 83.9 t -105.99 138.53 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.177 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 12.3 tpt180 -117.83 150.14 39.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.443 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 22.4 p80 -127.77 132.25 49.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -108.91 162.15 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -129.3 153.64 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.4 t -130.0 120.99 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 79' ' ' ARG . 44.0 tttt -87.2 151.41 23.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.447 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 5.0 tmm_? -103.25 114.35 28.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -129.15 92.39 3.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.68 -157.47 39.92 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.522 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -6.05 17.67 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.51 162.38 19.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.401 ' C ' HG21 ' A' ' 85' ' ' VAL . 26.7 m-85 -99.86 163.02 12.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.401 HG21 ' C ' ' A' ' 84' ' ' TYR . 90.6 t -140.68 111.59 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.7 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 73.0 mt -61.37 150.07 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -93.29 52.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.478 ' CG1' HG22 ' A' ' 86' ' ' ILE . 30.8 m -117.49 -179.35 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' VAL . 48.7 mt-10 -34.17 -59.04 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -110.99 139.04 21.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 85.96 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 103' ' ' TYR . 78.9 t80 -70.82 114.06 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 86.4 p -92.74 141.99 27.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.2 p -143.78 160.72 40.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.0 p -85.36 -23.55 27.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.4 m -156.16 163.99 38.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 100' ' ' VAL . 13.8 mt -55.74 -46.05 77.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 97' ' ' LEU . 1.6 m-20 -37.15 -50.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -54.2 -42.59 69.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 97' ' ' LEU . 67.0 t -46.02 -53.77 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 78.2 t -49.23 -42.4 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -67.84 -46.31 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.7 ' CD2' ' CD1' ' A' ' 86' ' ' ILE . 69.0 t80 -43.56 -53.58 5.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -63.66 -53.43 51.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 89.7 t -40.27 -50.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.6 t -76.16 -44.07 39.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -44.48 -64.06 0.77 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.0 t -61.61 157.54 17.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.169 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 -21.7 23.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -91.15 162.12 14.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.22 81.1 5.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.88 163.63 7.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.3 t -124.44 128.07 25.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.618 0.723 . . . . 0.0 111.139 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 148.19 64.8 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.607 2.205 . . . . 0.0 112.386 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 36' ' ' LEU . 2.7 t80 -92.75 111.96 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.6 tp -131.17 138.44 49.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 40' ' ' TYR . 2.3 tt -132.3 105.91 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.8 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.79 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 m -157.87 164.84 36.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.915 0.388 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 t -163.98 147.75 9.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.42 -116.82 0.74 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.527 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m 51.47 44.84 28.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -101.01 40.36 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.71 73.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.442 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -58.36 -14.35 7.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 0.0 110.955 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 m -144.03 119.81 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.4 tp -126.67 76.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.69 3.62 29.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.048 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -75.83 -31.36 59.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -65.75 -54.54 25.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -104.71 146.48 28.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.95 141.1 1.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -88.19 28.43 1.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -86.52 41.73 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.11 54.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -116.52 4.51 13.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' N ' HD11 ' A' ' 19' ' ' LEU . 22.0 mt-10 -82.38 -34.19 28.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 p -144.16 152.81 55.4 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.543 0.687 . . . . 0.0 111.104 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 143.66 51.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.614 2.21 . . . . 0.0 112.399 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.8 p -44.38 -52.71 7.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.8 p -42.87 -39.22 2.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -46.96 150.07 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.441 HD21 ' CD2' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -152.35 155.74 38.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -101.24 104.77 15.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 3.9 m -146.69 174.36 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 t -81.12 -176.24 5.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 26.6 ptt180 -69.3 -49.84 52.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.6 mt -74.29 -39.08 63.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.01 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -50.86 -63.77 1.02 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . . . -39.58 -40.87 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -59.51 -70.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.453 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 1.1 pp -51.33 -35.38 37.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.491 HD22 ' CE1' ' A' ' 115' ' ' PHE . 4.3 tp -49.85 -24.73 2.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.2 mt -71.66 -64.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -58.64 -30.09 67.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' HG3' ' CD1' ' A' ' 35' ' ' LEU . 17.1 mmt180 -65.49 -51.04 62.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -125.84 73.38 70.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.684 0.754 . . . . 0.0 110.932 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -36.37 10.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -63.96 -26.9 68.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.9 m -87.3 35.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.26 178.03 50.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.04 -44.06 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.915 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 tp -58.04 89.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.33 135.81 52.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mp -97.65 121.39 39.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.405 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 7.0 ptm180 -114.27 139.73 24.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.609 0.719 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 153.44 68.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.749 2.299 . . . . 0.0 112.294 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.7 t -46.91 -45.01 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.75 -33.16 6.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.431 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -90.07 48.4 1.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.833 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 41.51 83.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -152.86 172.67 16.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -86.59 -49.89 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.87 157.2 2.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.79 160.11 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 111.167 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.6 t -120.6 162.12 20.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.3 t -120.55 132.84 69.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.6 m -110.09 114.67 28.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.086 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.1 p -128.39 128.6 44.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -120.23 107.74 13.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -116.06 153.58 31.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.6 tpt -82.95 106.92 15.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -123.02 145.41 48.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 m120 41.32 43.13 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.04 41.43 6.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.543 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.0 t -140.12 164.92 28.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.817 0.341 . . . . 0.0 111.169 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -95.84 118.02 31.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.0 t -137.61 134.22 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.2 t -118.82 116.11 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.416 ' NH1' ' HA ' ' A' ' 75' ' ' TYR . 2.0 tmt_? -104.61 146.91 28.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -126.21 114.33 18.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.416 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 66.3 m-85 -88.97 134.28 34.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 87' ' ' ASP . 5.6 ttpm? -99.9 151.66 21.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 78' ' ' LYS . 93.8 t -129.61 137.11 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.455 ' N ' HG13 ' A' ' 77' ' ' VAL . 34.8 tttp -93.64 152.52 18.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -110.83 102.4 10.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -124.23 96.04 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.57 -152.77 51.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -6.36 18.4 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -110.16 160.78 16.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -118.75 104.27 10.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.938 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.08 108.96 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 87' ' ' ASP . 54.4 mt -52.02 148.0 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 1.6 t70 -94.79 45.85 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 89' ' ' GLU . 20.4 m -108.59 176.55 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 88' ' ' VAL . 10.5 tp10 -34.68 -48.81 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -116.28 132.73 23.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.701 0.763 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 87.05 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.702 2.268 . . . . 0.0 112.366 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -76.58 102.51 6.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.2 p -87.02 121.87 30.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 31.1 p -123.93 -177.62 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.8 p -87.02 -43.42 12.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -149.71 178.53 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 98' ' ' ASP . 46.4 mt -57.08 -42.25 80.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' LEU . 43.6 t0 -37.88 -58.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.2 -57.25 7.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.3 t -38.17 -55.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.4 t -43.85 -48.21 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -66.63 -39.13 88.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -53.18 -50.22 65.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -59.87 -47.08 87.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 85.0 t -48.01 -59.09 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.195 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.5 t -61.26 -54.87 38.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -42.96 -54.42 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.844 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 109' ' ' LYS . 25.4 p -60.44 130.19 45.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 108' ' ' THR . 35.1 ttpt -36.75 -58.69 0.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.809 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.59 136.63 44.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.55 104.07 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.3 tp -76.12 161.88 28.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.7 t -103.31 133.58 20.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.631 0.729 . . . . 0.0 111.08 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 154.84 66.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.627 2.218 . . . . 0.0 112.294 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.491 ' CE1' HD22 ' A' ' 36' ' ' LEU . 2.6 t80 -98.48 115.21 28.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.4 tp -130.18 132.88 46.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 tp -137.02 109.65 7.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.819 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.485 ' HG3' HG23 ' A' ' 21' ' ' THR . 6.1 pt-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.909 0.385 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 20' ' ' GLU . 1.3 p -100.47 152.24 37.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 111.094 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.57 38.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.628 2.219 . . . . 0.0 112.364 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -40.68 -48.93 3.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.6 p -41.14 -41.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.403 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 40.6 t80 -55.24 155.07 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.869 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.43 151.47 30.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.93 104.79 17.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.2 m -152.13 168.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.197 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -95.23 150.87 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 31' ' ' LEU . 14.4 ttt180 -40.36 -63.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' ARG . 8.4 mp -37.22 -36.53 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' GLN . 20.1 mm-40 -84.16 -56.68 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.461 ' O ' HD21 ' A' ' 47' ' ' LEU . . . -39.42 -27.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . 5.2 tm0? -80.14 -66.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.944 HD12 ' N ' ' A' ' 36' ' ' LEU . 2.7 pp -52.56 -46.03 66.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.944 ' N ' HD12 ' A' ' 35' ' ' LEU . 19.6 mt -40.72 -26.69 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.615 HD13 ' HB2' ' A' ' 63' ' ' ARG . 31.4 mt -73.05 -58.31 3.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 3.8 pt-20 -62.68 -30.07 71.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.426 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 11.3 mtp85 -68.81 -52.37 30.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -120.8 78.27 30.56 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.657 0.741 . . . . 0.0 110.91 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -44.34 2.12 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.681 2.254 . . . . 0.0 112.26 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -50.65 -31.01 14.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 60.4 m -86.1 38.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.0 177.21 2.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' O ' ' CD2' ' A' ' 37' ' ' LEU . 17.7 p30 -122.78 -14.03 7.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.524 HD21 HG13 ' A' ' 101' ' ' VAL . 8.1 tp -79.17 103.86 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.869 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -131.06 159.66 36.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.593 ' N ' HD12 ' A' ' 47' ' ' LEU . 6.5 mp -118.74 131.87 56.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.415 ' C ' ' HD2' ' A' ' 49' ' ' ARG . 3.3 ppt_? -129.31 143.83 50.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.533 0.682 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.403 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.8 123.45 10.1 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.642 2.228 . . . . 0.0 112.349 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.7 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.835 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.397 -0.281 . . . . 0.0 112.397 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.7 p -112.63 156.59 13.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.796 0.332 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -105.15 161.12 14.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.445 HG12 HG23 ' A' ' 62' ' ' THR . 71.7 t -121.44 108.97 23.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.099 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.643 HG23 ' NE2' ' A' ' 74' ' ' HIS . 4.6 m -85.17 119.23 25.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.445 HG23 HG12 ' A' ' 60' ' ' VAL . 66.5 p -135.01 123.15 22.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.615 ' HB2' HD13 ' A' ' 37' ' ' LEU . 30.1 ttp180 -108.01 93.37 4.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -104.44 156.97 17.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 tpt -67.46 127.29 32.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.808 ' O ' HG22 ' A' ' 69' ' ' THR . 2.0 t60 -136.89 123.9 21.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 43.08 26.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.27 42.41 83.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.808 HG22 ' O ' ' A' ' 66' ' ' HIS . 7.6 t -134.4 160.82 36.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 111.206 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -96.11 103.78 15.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.4 p -145.03 143.11 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.405 HG23 ' HB2' ' A' ' 63' ' ' ARG . 1.9 p -115.02 146.76 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -117.34 143.55 45.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.643 ' NE2' HG23 ' A' ' 61' ' ' THR . 8.3 m-70 -120.84 104.98 10.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.802 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -79.96 160.81 25.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 87' ' ' ASP . 35.7 tptt -117.23 149.12 40.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.961 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.5 t -125.19 119.15 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -77.81 159.75 28.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -121.87 92.38 3.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -112.97 88.42 2.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.07 -154.05 40.56 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 3.37 2.78 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.747 2.298 . . . . 0.0 112.368 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -118.76 166.09 13.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -125.82 103.5 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.8 t -72.57 141.16 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.3 mt -92.86 133.06 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 76' ' ' LYS . 23.1 p-10 -73.41 77.49 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 89' ' ' GLU . 15.3 m -143.66 -176.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 88' ' ' VAL . 2.6 mp0 -36.43 -64.68 0.32 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -108.03 144.03 28.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.612 0.72 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 82.3 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.745 2.296 . . . . 0.0 112.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -71.61 110.86 6.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.8 p -86.04 134.55 33.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.4 p -122.63 -176.39 3.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.6 t -113.4 -18.46 12.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 t -161.07 171.91 17.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.87 -38.47 88.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -48.54 -53.85 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -43.01 -56.68 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.3 t -42.09 -58.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.563 ' O ' HG23 ' A' ' 105' ' ' VAL . 98.3 t -46.54 -40.26 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.194 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -72.08 -58.44 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.525 ' C ' ' CD1' ' A' ' 103' ' ' TYR . 1.5 t80 -41.9 -42.33 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -63.24 -41.55 99.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 101' ' ' VAL . 91.3 t -57.66 -53.57 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.6 t -69.29 -33.96 73.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -56.22 -61.1 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.815 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.7 p -54.64 154.71 4.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.407 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -79.87 -2.07 41.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -131.35 142.08 50.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.55 96.27 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.058 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.0 mt -76.63 171.2 15.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 114' ' ' PRO . 93.7 t -129.95 136.69 29.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.725 0.774 . . . . 0.0 111.12 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.57 ' HD2' HG13 ' A' ' 113' ' ' VAL . 54.3 Cg_endo -69.76 162.44 42.05 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 116' ' ' LEU . 5.7 t80 -110.54 140.95 44.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.45 HD12 ' H ' ' A' ' 117' ' ' LEU . 56.6 tp -149.67 155.42 40.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.45 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -150.19 111.44 4.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.928 0.394 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -112.54 152.38 44.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 111.155 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 167.14 25.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.761 2.307 . . . . 0.0 112.366 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 m -67.59 -46.01 73.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 p -50.54 -31.03 14.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -57.93 151.72 17.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.938 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.41 151.77 31.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.41 104.98 17.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 36' ' ' LEU . 4.4 m -150.88 175.24 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 t -80.9 160.11 24.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -49.0 -47.92 43.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.9 mt -70.21 -50.14 43.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 33' ' ' ALA . 40.2 mm-40 -46.17 -63.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.719 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -37.54 -37.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -64.58 0.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.802 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -50.7 -27.38 6.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 33' ' ' ALA . 12.2 mt -58.88 -41.5 87.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.653 HD21 HD23 ' A' ' 47' ' ' LEU . 12.3 mt -58.41 -62.68 1.67 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 9.6 pt-20 -49.12 -42.03 37.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 14.2 mmt180 -58.63 -51.5 69.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -117.61 79.79 12.88 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.643 0.735 . . . . 0.0 110.919 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -15.8 37.31 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.615 2.21 . . . . 0.0 112.375 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -88.72 -25.85 22.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.6 m -60.74 -52.56 64.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.4 -178.11 37.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -119.26 -42.53 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.635 ' HA ' HG22 ' A' ' 62' ' ' THR . 6.7 tp -77.3 102.86 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.938 HD13 HD11 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -127.38 131.83 50.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 48' ' ' LEU . 5.4 mp -98.93 119.66 38.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -112.35 149.42 41.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.674 0.749 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 146.09 59.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.653 2.235 . . . . 0.0 112.394 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.854 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.0 m -120.21 155.55 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.837 0.351 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.3 m -90.48 146.03 24.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.54 HG12 HG23 ' A' ' 62' ' ' THR . 50.0 t -117.29 112.94 41.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.183 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 64.1 m -97.54 108.57 21.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.635 HG22 ' HA ' ' A' ' 46' ' ' LEU . 44.5 p -125.19 132.48 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.8 ptt85 -137.96 152.16 48.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -143.89 165.5 27.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.1 tpt -91.05 124.03 34.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.443 ' C ' ' OD1' ' A' ' 67' ' ' ASN . 6.3 t-80 -148.82 140.75 23.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.443 ' OD1' ' C ' ' A' ' 66' ' ' HIS . 3.8 p-10 41.79 29.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 55.63 41.4 81.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.452 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.73 HG23 HG23 ' A' ' 71' ' ' VAL . 1.1 t -125.52 163.78 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 111.149 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -102.45 107.03 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.73 HG23 HG23 ' A' ' 69' ' ' THR . 59.1 t -124.21 133.11 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.5 t -129.5 111.37 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -98.59 152.31 19.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -133.22 116.63 16.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -93.51 161.87 14.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -131.09 143.27 50.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.0 t -129.37 122.04 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.695 ' HB2' HG23 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -73.14 168.21 19.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -121.87 100.27 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -116.94 87.72 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.82 -153.21 46.89 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.436 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.67 -3.04 11.14 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.229 . . . . 0.0 112.413 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -109.0 164.73 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.464 ' CE2' ' HG ' ' A' ' 97' ' ' LEU . 36.3 m-85 -120.55 117.27 27.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.695 HG23 ' HB2' ' A' ' 78' ' ' LYS . 30.1 m -101.06 113.55 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.522 HG22 HG13 ' A' ' 88' ' ' VAL . 83.1 mt -62.95 154.7 5.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.183 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.459 ' N ' HG22 ' A' ' 86' ' ' ILE . 18.5 t0 -90.16 41.29 1.04 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.522 HG13 HG22 ' A' ' 86' ' ' ILE . 16.8 m -107.81 -175.97 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 88' ' ' VAL . 20.8 tt0 -36.52 -65.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -104.85 142.97 25.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.61 0.719 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 85.05 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.71 2.274 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -60.64 98.55 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.6 p -88.86 112.36 23.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.411 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . 27.6 p -120.18 -178.77 3.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 75.4 p -79.36 -57.54 3.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.4 m -139.38 177.5 7.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.464 ' HG ' ' CE2' ' A' ' 84' ' ' TYR . 39.2 mt -51.7 -47.8 63.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -36.0 -49.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.952 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 94' ' ' CYS . . . -57.29 -53.28 59.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.2 t -46.33 -49.05 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.153 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 105' ' ' VAL . 82.6 t -53.53 -45.45 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -68.71 -43.82 75.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -49.27 -46.14 45.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 105' ' ' VAL . 30.5 m-85 -62.28 -59.82 4.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 101' ' ' VAL . 90.8 t -36.72 -49.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.9 t -74.73 -49.56 20.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -42.97 -61.39 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.2 t -51.26 146.4 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -74.01 -12.93 60.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -124.92 125.27 43.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.33 100.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.5 mt -80.19 138.3 36.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.26 126.11 49.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 150.03 67.77 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.658 2.239 . . . . 0.0 112.351 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 8.0 t80 -97.11 127.02 42.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.0 tp -135.46 130.51 34.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.9 tp -128.59 114.0 16.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.864 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.961 0.41 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -124.46 149.11 60.56 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.545 0.688 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 179.12 3.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.451 ' C ' HD13 ' A' ' 116' ' ' LEU . 7.1 t -77.61 -33.81 53.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.9 p -59.7 -36.98 77.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.824 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -55.45 154.92 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.987 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.34 152.68 32.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -97.29 104.86 16.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 m -151.9 174.63 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.9 m -90.79 165.06 13.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.445 ' CD ' ' H ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -48.61 -56.12 9.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 mt -53.69 -46.8 70.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -59.13 -58.51 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.497 ' O ' HD21 ' A' ' 47' ' ' LEU . . . -43.59 -38.57 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.422 ' HA ' HD12 ' A' ' 37' ' ' LEU . 3.6 tt0 -75.73 -56.91 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.799 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.38 -26.05 28.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 mt -68.91 -27.37 65.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 34' ' ' GLN . 13.0 mt -70.71 -36.52 73.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -79.53 -28.7 41.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -74.69 -40.6 61.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -130.69 74.52 80.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.607 0.718 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 -36.6 10.26 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.607 2.205 . . . . 0.0 112.296 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -66.38 -45.7 79.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.8 t -45.92 -47.45 16.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.52 178.11 36.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -124.53 -28.21 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.406 ' HB2' ' CD2' ' A' ' 112' ' ' LEU . 7.6 tp -87.36 99.86 12.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.987 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -122.96 137.74 54.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.1 mp -98.71 119.37 37.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.6 ptt85 -115.19 147.17 37.9 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.66 0.743 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 139.26 39.99 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.77 2.313 . . . . 0.0 112.289 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.1 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.873 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.459 ' HA2' ' CG1' ' A' ' 77' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.435 ' H ' HG12 ' A' ' 77' ' ' VAL . 29.7 m -125.5 162.2 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 0.0 111.074 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t -103.51 124.89 49.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.473 HG21 ' HE2' ' A' ' 104' ' ' PHE . 98.5 t -90.12 109.6 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.7 m -99.99 111.52 23.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.102 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.4 p -114.09 150.61 33.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 ttt-85 -118.12 85.24 2.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -98.15 162.81 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -107.41 127.41 53.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -150.06 153.38 36.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.9 t30 50.72 26.02 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.47 30.05 67.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.7 t -140.56 154.62 46.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.824 0.345 . . . . 0.0 111.131 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 70' ' ' HIS . 26.4 p-80 -76.84 119.64 20.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.5 p -128.66 143.83 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.2 t -133.33 121.79 43.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -124.19 154.28 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -118.07 162.2 18.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -137.25 108.56 6.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 3.3 ttmm -87.01 120.39 28.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 86' ' ' ILE . 9.4 p -90.28 132.95 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.09 167.55 9.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -126.98 87.85 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -118.04 91.33 3.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.5 -156.32 46.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 0.93 4.96 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.75 149.0 48.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -102.68 157.95 16.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 85' ' ' VAL . 7.0 t -128.71 91.26 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.833 HD11 HG13 ' A' ' 100' ' ' VAL . 2.8 mt -42.27 152.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.459 ' CG ' ' O ' ' A' ' 76' ' ' LYS . 41.8 p-10 -99.18 76.26 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 89' ' ' GLU . 5.9 m -136.66 -177.35 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' VAL . 4.3 tp10 -34.44 -59.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -111.58 143.1 27.87 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.532 0.682 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 88.96 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.365 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 103' ' ' TYR . 68.8 t80 -82.02 118.39 22.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 99.4 p -100.1 159.99 14.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.476 ' SG ' ' CE2' ' A' ' 92' ' ' PHE . 1.8 m -164.76 147.97 8.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.8 p -72.9 -47.11 48.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.8 m -124.38 161.55 25.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 100' ' ' VAL . 12.2 mt -60.99 -44.55 97.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -37.29 -49.45 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.54 96.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.833 HG13 HD11 ' A' ' 86' ' ' ILE . 69.5 t -52.09 -42.16 34.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.18 -43.43 93.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -60.99 -44.26 97.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.513 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 21.1 t80 -42.24 -52.27 4.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.473 ' HE2' HG21 ' A' ' 60' ' ' VAL . 34.9 m-85 -59.85 -46.8 88.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 84.8 t -43.58 -47.8 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.4 t -78.46 -45.66 21.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -52.06 -67.27 0.27 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.582 HG21 HD22 ' A' ' 112' ' ' LEU . 65.9 p -41.41 124.52 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.202 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 109' ' ' LYS . 2.2 tmtm? -56.32 -47.83 77.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.5 137.88 33.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -43.99 120.16 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.582 HD22 HG21 ' A' ' 108' ' ' THR . 5.1 tp -106.2 137.41 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.4 HG13 ' HD2' ' A' ' 114' ' ' PRO . 76.9 t -107.48 132.22 21.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.646 0.736 . . . . 0.0 111.127 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.4 ' HD2' HG13 ' A' ' 113' ' ' VAL . 54.4 Cg_endo -69.69 161.89 44.18 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.764 2.309 . . . . 0.0 112.377 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 6.6 t80 -110.3 124.75 52.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.451 HD13 ' C ' ' A' ' 23' ' ' SER . 24.9 tp -138.19 131.76 30.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.588 HD23 ' O ' ' A' ' 118' ' ' ASP . 4.9 tt -135.02 106.18 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.588 ' O ' HD23 ' A' ' 117' ' ' LEU . 2.4 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -101.84 150.28 37.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 111.151 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 160.46 49.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.632 2.221 . . . . 0.0 112.347 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.5 m -67.37 -33.28 74.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.7 p -64.57 -20.23 66.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 24.8 t80 -73.7 153.71 39.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.681 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.41 153.17 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.941 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -95.33 105.07 16.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.77 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 2.8 m -151.3 158.4 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -68.47 -179.92 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -66.08 -32.78 74.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 mt -89.46 -50.82 5.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -44.4 -32.19 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.77 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . . . -77.43 -50.47 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -52.54 -47.05 66.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.726 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -66.13 -37.0 84.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.94 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 35' ' ' LEU . 10.4 mt -55.57 -20.01 11.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.969 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.548 HD21 HD23 ' A' ' 47' ' ' LEU . 62.9 mt -80.41 -65.42 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -51.2 -27.45 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -74.33 -44.77 51.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -126.33 80.48 68.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.722 0.773 . . . . 0.0 110.947 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -25.83 28.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -77.62 -36.25 51.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.8 m -54.07 -38.9 65.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.03 172.02 16.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.491 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.404 ' HA ' HD22 ' A' ' 37' ' ' LEU . 5.8 p30 -115.0 -36.95 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 0.0 110.904 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.03 108.17 11.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.681 HD13 HD11 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -133.08 132.08 41.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.7 mp -98.1 114.09 26.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -112.71 146.69 35.55 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.594 0.711 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 129.6 17.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.351 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.833 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.44 HG22 ' N ' ' A' ' 59' ' ' SER . 5.1 p -125.47 153.92 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 111.128 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.44 ' N ' HG22 ' A' ' 58' ' ' VAL . 48.0 t -124.19 147.69 47.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.43 129.87 59.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.4 m -117.99 110.32 17.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.8 p -114.53 136.92 52.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.174 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -142.71 111.86 6.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.417 ' C ' ' OE1' ' A' ' 64' ' ' GLN . 1.0 OUTLIER -141.24 132.34 26.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.0 ttm -41.98 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.619 ' O ' HG22 ' A' ' 69' ' ' THR . 8.0 t-80 -122.37 126.73 48.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.783 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 62.91 26.8 15.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.37 30.51 77.78 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.477 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 66' ' ' HIS . 12.4 t -141.37 163.65 32.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 0.0 111.143 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.422 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 47.9 p-80 -92.38 101.31 13.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.3 m -107.3 136.43 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.9 t -134.18 106.68 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -109.33 176.97 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -145.1 134.2 22.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -109.22 138.28 45.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -93.54 164.67 13.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.4 t -133.1 119.5 36.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -78.65 144.84 35.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -106.14 98.35 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -123.38 74.69 1.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 82' ' ' PRO . . . 78.1 -148.54 33.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 81' ' ' GLY . 53.6 Cg_endo -69.74 -11.22 30.4 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.736 2.291 . . . . 0.0 112.355 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -99.99 152.25 20.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -117.8 97.03 5.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 91' ' ' PRO . 43.3 t -73.93 127.36 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.643 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 43.8 mt -73.13 158.92 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.498 ' N ' HG22 ' A' ' 86' ' ' ILE . 4.1 t70 -87.34 42.91 1.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 90' ' ' GLN . 20.6 m -103.16 170.45 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' VAL . 23.1 mt-10 -38.47 -47.25 1.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.706 ' O ' HG23 ' A' ' 88' ' ' VAL . 24.0 mt-30 -113.13 140.9 24.79 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.661 0.743 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.452 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 54.1 Cg_endo -69.67 88.33 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.268 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -79.31 112.03 16.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.2 t -86.65 150.07 24.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.558 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 15.4 p -144.65 163.84 32.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.5 p -73.09 -40.54 64.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.8 m -158.09 175.14 14.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 98' ' ' ASP . 21.2 mt -49.53 -46.07 48.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 97' ' ' LEU . 17.1 t70 -36.5 -59.1 0.68 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 94' ' ' CYS . . . -47.84 -55.72 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 75.2 t -39.48 -43.41 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 105' ' ' VAL . 91.4 t -62.0 -37.86 79.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 99' ' ' ALA . 72.7 m-80 -76.72 -50.56 13.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.643 ' CD2' ' CD1' ' A' ' 86' ' ' ILE . 40.2 t80 -39.95 -54.42 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.504 ' O ' HG22 ' A' ' 108' ' ' THR . 42.0 m-85 -58.5 -57.1 14.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 101' ' ' VAL . 95.6 t -38.29 -56.26 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t -67.28 -48.82 66.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -41.97 -64.17 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 104' ' ' PHE . 3.3 t -59.74 139.8 56.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.43 ' HE2' ' C ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -49.95 -70.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -62.71 150.21 41.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.971 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.24 96.44 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.409 ' HB2' HG21 ' A' ' 108' ' ' THR . 9.4 tp -63.5 155.07 30.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 44.1 t -125.31 128.01 24.84 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.693 0.759 . . . . 0.0 111.129 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 158.5 56.82 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.647 2.232 . . . . 0.0 112.348 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 3.2 t80 -106.41 129.05 54.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.436 HD12 ' H ' ' A' ' 117' ' ' LEU . 57.7 tp -136.14 151.32 49.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.436 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -138.53 106.33 5.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.857 0.36 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.556 HG22 HD12 ' A' ' 97' ' ' LEU . 2.3 p -88.36 152.0 49.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 111.183 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 144.98 55.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.314 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.0 m -46.71 -50.26 18.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 p -42.98 -30.09 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -58.89 151.9 20.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.798 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.677 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.38 152.43 32.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.943 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -97.28 104.6 16.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.2 m -150.02 174.3 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 m -81.59 170.49 15.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.927 ' HG3' HD12 ' A' ' 31' ' ' LEU . 5.8 ptp180 -61.24 -33.57 73.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.927 HD12 ' HG3' ' A' ' 30' ' ' ARG . 5.0 mp -83.69 -44.99 13.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.5 -43.74 62.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.437 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -60.37 -35.31 75.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.427 ' OE1' ' NH2' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -66.49 -55.3 16.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.65 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -62.82 -36.52 83.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.962 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 36' ' ' LEU . 9.7 mt -47.17 -26.05 1.05 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.428 HD13 ' CB ' ' A' ' 63' ' ' ARG . 70.8 mt -70.21 -59.16 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 9.5 pt-20 -56.56 -37.77 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.45 ' HD2' HD11 ' A' ' 35' ' ' LEU . 52.4 mtt-85 -66.67 -48.89 67.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 115' ' ' PHE . 11.9 m-85 -120.7 73.08 22.75 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.727 . . . . 0.0 110.859 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -40.17 5.71 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 43' ' ' CYS . 34.6 mt-10 -65.75 -56.93 9.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 42' ' ' GLU . 56.7 m -34.28 -52.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.23 -175.72 44.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.426 ' CG ' ' H ' ' A' ' 63' ' ' ARG . 8.4 t30 -131.5 -40.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.525 HD12 ' CG2' ' A' ' 62' ' ' THR . 6.4 tp -76.95 93.44 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.727 HD12 ' N ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -109.43 165.26 11.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.727 ' N ' HD12 ' A' ' 47' ' ' LEU . 5.4 mp -129.79 112.19 13.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.405 ' C ' ' HD2' ' A' ' 49' ' ' ARG . 5.0 ppt_? -106.02 144.32 28.7 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.64 0.733 . . . . 0.0 110.857 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 139.21 39.72 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.718 2.279 . . . . 0.0 112.309 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.4 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.847 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.0 t -124.37 145.71 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -102.4 147.29 26.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.7 t -114.2 111.51 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.181 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.2 m -102.0 129.07 48.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.525 ' CG2' HD12 ' A' ' 46' ' ' LEU . 70.2 p -141.41 134.83 29.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.557 ' HB2' HG22 ' A' ' 72' ' ' VAL . 14.6 ttm180 -126.09 96.57 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.414 ' NE2' HD11 ' A' ' 112' ' ' LEU . 34.7 mt-30 -97.52 151.2 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.975 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.8 tpt -75.96 107.27 8.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -136.11 150.2 49.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 46.69 32.61 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.86 31.59 10.39 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.543 HG23 HG23 ' A' ' 71' ' ' VAL . 14.9 t -140.63 135.58 31.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.741 0.305 . . . . 0.0 111.129 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -65.71 115.31 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.543 HG23 HG23 ' A' ' 69' ' ' THR . 86.0 t -131.72 134.15 60.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.557 HG22 ' HB2' ' A' ' 63' ' ' ARG . 89.7 t -114.08 131.22 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -110.92 172.65 6.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -144.66 148.73 34.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -138.15 152.46 48.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -114.11 147.73 38.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.8 t -129.14 104.81 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -69.14 154.38 42.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 79' ' ' ARG . 3.1 tmm_? -113.55 108.62 17.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -125.73 100.24 6.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.94 -157.32 52.39 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -1.87 9.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.607 2.204 . . . . 0.0 112.368 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -122.43 166.15 15.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.4 157.98 22.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.6 t -133.14 121.38 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.061 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.508 HG22 HG13 ' A' ' 88' ' ' VAL . 56.8 mt -70.55 154.48 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.046 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.439 ' N ' HG22 ' A' ' 86' ' ' ILE . 5.8 t0 -91.14 45.6 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.508 HG13 HG22 ' A' ' 86' ' ' ILE . 11.5 m -104.94 -176.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.9 -50.27 3.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.479 ' O ' HG23 ' A' ' 88' ' ' VAL . 85.9 mt-30 -119.99 141.88 32.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 93.02 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.743 2.295 . . . . 0.0 112.347 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -77.45 112.69 14.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.0 p -87.21 132.26 33.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.799 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 21.2 p -129.37 176.62 7.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 96' ' ' SER . 7.7 t -104.07 -42.3 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.423 ' N ' HG23 ' A' ' 95' ' ' THR . 74.8 m -132.37 170.41 15.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.556 HD12 HG22 ' A' ' 21' ' ' THR . 13.1 mt -68.12 -44.29 76.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -37.09 -60.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.795 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -45.33 -58.9 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 99.4 t -38.43 -57.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 105' ' ' VAL . 58.6 t -45.06 -42.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -74.81 -38.42 62.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.424 ' CD1' ' CD1' ' A' ' 86' ' ' ILE . 33.2 t80 -52.98 -69.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 105' ' ' VAL . 13.3 m-85 -38.39 -58.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 101' ' ' VAL . 87.4 t -35.61 -46.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.08 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.7 t -81.82 -39.39 24.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -41.59 -70.09 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.793 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.614 HG23 ' N ' ' A' ' 109' ' ' LYS . 9.0 t -88.7 -52.23 5.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.614 ' N ' HG23 ' A' ' 108' ' ' THR . 21.6 mmmt -93.56 -175.29 3.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.76 -34.64 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -154.13 106.34 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.533 HD11 ' HG3' ' A' ' 109' ' ' LYS . 10.3 mt -122.08 -176.89 3.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 89.3 t -127.97 125.12 23.46 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 111.08 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.4 65.07 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 40' ' ' TYR . 9.7 t80 -92.92 112.93 25.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.6 tp -114.1 143.05 45.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 tp -140.71 118.24 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.422 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 2.5 p30 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.994 0.426 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -134.37 147.4 63.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.555 0.693 . . . . 0.0 111.202 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.37 66.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.0 m -48.8 -54.08 16.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.1 p -38.58 -43.58 0.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -44.5 156.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.032 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.48 151.57 30.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -97.46 104.61 16.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.497 HG11 HD11 ' A' ' 36' ' ' LEU . 5.0 m -151.66 168.58 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 m -75.36 -176.72 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.832 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.5 ttt-85 -62.5 -56.01 22.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 34' ' ' GLN . 13.0 mt -71.86 -47.63 51.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -40.48 -42.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.464 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . . . -66.42 -38.28 87.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' LEU . 10.4 tt0 -65.18 -54.11 34.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.64 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -59.45 -33.77 71.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.497 HD11 HG11 ' A' ' 28' ' ' VAL . 12.5 mt -56.17 -21.03 20.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.792 HD13 ' HB2' ' A' ' 63' ' ' ARG . 82.8 mt -76.48 -63.43 1.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -57.09 -24.05 51.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -78.05 -49.85 13.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -119.62 78.98 21.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.666 0.746 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -46.43 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.73 2.287 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' CYS . 12.4 mm-40 -52.9 -58.88 5.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLU . 77.5 m -37.46 -48.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.77 174.65 22.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.486 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.428 HD21 HD23 ' A' ' 112' ' ' LEU . 0.1 OUTLIER -115.89 -35.9 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.0 tp -72.12 93.75 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.032 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -120.35 140.71 50.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 47' ' ' LEU . 6.1 mp -103.43 105.2 15.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -104.31 143.62 27.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.636 0.731 . . . . 0.0 110.892 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 136.58 33.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.272 . . . . 0.0 112.303 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.813 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.2 t -145.05 143.49 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -129.96 147.26 51.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.799 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.1 t -107.45 112.47 40.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.5 m -96.9 114.05 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.3 p -120.75 123.12 41.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.792 ' HB2' HD13 ' A' ' 37' ' ' LEU . 11.3 tpt85 -84.84 86.23 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -105.39 167.56 9.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.6 tpt -102.17 124.75 48.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.515 ' O ' HG22 ' A' ' 69' ' ' THR . 4.1 t-80 -134.7 143.9 47.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 42.59 33.55 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.87 39.83 40.79 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.467 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 66' ' ' HIS . 6.1 t -138.12 148.81 45.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 111.12 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' A' ' 70' ' ' HIS . 55.1 p-80 -72.82 107.6 5.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.6 p -148.74 139.22 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.43 HG22 ' HD2' ' A' ' 63' ' ' ARG . 96.2 t -108.43 142.62 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -111.08 161.06 16.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -145.27 110.73 5.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.78 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -83.98 124.7 31.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.995 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -82.15 144.52 30.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.2 t -118.17 106.48 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 79' ' ' ARG . 5.6 tmtm? -69.04 145.67 53.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.445 ' N ' ' HD3' ' A' ' 78' ' ' LYS . 0.7 OUTLIER -104.97 105.62 15.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.453 ' O ' ' CD ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -130.64 93.43 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.65 -156.06 53.34 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 3.07 3.01 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.698 2.266 . . . . 0.0 112.275 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 94' ' ' CYS . 0.0 OUTLIER -123.45 171.62 9.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.89 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -126.29 161.04 28.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 85.6 t -130.19 127.15 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.086 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.571 HG22 HG13 ' A' ' 88' ' ' VAL . 69.8 mt -75.24 148.25 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -82.81 46.42 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.571 HG13 HG22 ' A' ' 86' ' ' ILE . 12.4 m -111.14 174.05 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -41.63 -49.57 4.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.553 ' O ' HG23 ' A' ' 88' ' ' VAL . 55.3 tt0 -109.55 129.81 23.5 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 86.8 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.409 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 30.7 t80 -72.65 115.83 12.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.5 p -89.71 131.36 35.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.831 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 83' ' ' LYS . 22.8 p -124.64 174.63 7.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 t -98.17 -33.35 11.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.4 t -148.22 164.12 34.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 98' ' ' ASP . 45.7 mt -53.08 -47.21 68.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 97' ' ' LEU . 3.1 t0 -37.76 -50.07 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -51.36 -51.59 53.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.8 t -43.35 -50.11 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 92.5 t -54.28 -50.79 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -60.82 -55.57 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.409 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 40.6 t80 -40.15 -54.91 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' A' ' 105' ' ' VAL . 22.1 m-85 -55.43 -63.89 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 104' ' ' PHE . 55.9 t -35.4 -59.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.4 t -60.03 -56.04 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -41.96 -61.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.9 t -61.67 139.39 58.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.21 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -64.96 -58.17 6.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -62.95 154.02 31.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.22 96.37 9.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.058 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.428 HD23 HD21 ' A' ' 45' ' ' ASN . 5.7 mp -73.53 166.23 23.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 70.7 t -119.32 130.94 24.57 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.584 0.707 . . . . 0.0 111.094 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 139.88 41.36 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -87.39 125.64 34.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.1 tp -134.88 131.71 37.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 tp -131.12 110.46 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.534 ' O ' HD12 ' A' ' 97' ' ' LEU . 14.6 pt-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.908 0.385 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.418 HG22 HD12 ' A' ' 97' ' ' LEU . 1.5 p -142.34 150.25 54.29 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.567 0.699 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 154.39 68.07 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.679 2.252 . . . . 0.0 112.366 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 p -58.15 -37.65 75.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.3 m -51.67 -34.83 39.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CD2' ' O ' ' A' ' 48' ' ' LEU . 8.0 t80 -61.62 150.93 34.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.623 HD11 HD12 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.47 153.72 34.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.974 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -93.29 104.91 17.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 m -147.66 174.52 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.8 m -86.92 167.82 13.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 -50.67 -49.79 56.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 mt -67.37 -52.21 42.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -42.09 -51.24 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.782 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -57.49 -61.05 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -51.45 -60.78 2.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.827 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -55.55 -33.46 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.527 ' N ' HD12 ' A' ' 35' ' ' LEU . 10.2 mt -63.77 -32.56 74.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.898 HD21 HD22 ' A' ' 47' ' ' LEU . 74.2 mt -56.72 -59.63 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -64.23 -33.84 76.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -62.2 -56.39 19.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -110.01 81.25 2.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.683 0.754 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -42.95 2.98 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.744 2.296 . . . . 0.0 112.289 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.86 -46.39 90.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.6 m -50.19 -50.29 49.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.53 -178.56 28.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.449 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.65 -42.58 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.583 ' HB2' HD23 ' A' ' 112' ' ' LEU . 5.6 tp -70.2 96.13 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.898 HD22 HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -117.11 176.71 5.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 5.8 mp -139.51 113.94 9.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -106.39 142.05 24.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.719 . . . . 0.0 110.825 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.77 144.21 53.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.298 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.9 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.843 -179.855 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.456 HG22 ' N ' ' A' ' 59' ' ' SER . 10.6 p -122.91 156.14 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.456 ' N ' HG22 ' A' ' 58' ' ' VAL . 2.2 m -120.04 146.93 45.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.6 t -100.34 118.52 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.201 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.3 m -109.33 121.3 44.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.574 HG22 ' HA ' ' A' ' 46' ' ' LEU . 39.0 p -138.23 141.32 39.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.583 ' HG2' HD13 ' A' ' 37' ' ' LEU . 11.4 ptt180 -124.71 144.87 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -142.06 177.89 7.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 ttm -108.22 103.89 13.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -135.74 128.27 30.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 73.38 27.04 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 58.98 30.41 66.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.432 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -141.14 159.02 43.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.363 . . . . 0.0 111.111 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -83.29 111.07 18.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.2 m -111.01 135.04 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.3 t -132.79 117.42 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -108.9 139.7 43.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -113.07 118.87 35.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -105.9 159.49 15.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -119.21 166.72 12.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.0 t -131.38 98.52 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -69.19 160.07 31.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -111.95 104.43 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.948 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -118.16 84.95 2.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.44 -156.0 33.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.444 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -5.45 16.24 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.394 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? -122.2 169.92 10.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -117.92 144.2 45.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 85' ' ' VAL . 33.0 m -121.51 117.41 52.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 87' ' ' ASP . 76.3 mt -47.92 156.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.481 ' N ' HG22 ' A' ' 86' ' ' ILE . 9.9 t0 -91.69 46.38 1.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.468 HG13 HG22 ' A' ' 86' ' ' ILE . 15.4 m -111.64 -175.17 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -49.34 -51.76 32.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.35 130.61 22.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 86.38 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.704 2.27 . . . . 0.0 112.324 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.561 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 4.1 t80 -74.43 102.09 4.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.7 p -84.6 152.98 23.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.42 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . 26.6 p -151.02 -175.79 5.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 96' ' ' SER . 9.8 t -83.95 -43.81 14.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.442 ' N ' HG23 ' A' ' 95' ' ' THR . 3.5 m -152.18 170.18 20.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.795 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 20' ' ' GLU . 19.4 mt -46.68 -43.96 18.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -37.39 -58.3 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.42 ' CB ' ' HB2' ' A' ' 94' ' ' CYS . . . -46.46 -55.27 7.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 96.9 t -40.15 -55.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.637 ' O ' HG23 ' A' ' 105' ' ' VAL . 96.0 t -47.19 -49.95 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -60.22 -44.62 95.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -51.64 -59.74 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -49.74 -42.35 45.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 101' ' ' VAL . 90.4 t -54.1 -47.69 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 t -71.85 -51.93 19.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -45.22 -49.7 12.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.402 HG21 HD22 ' A' ' 112' ' ' LEU . 23.5 p -62.28 122.34 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -55.64 -27.61 50.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -110.95 125.02 53.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -43.35 99.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.583 HD23 ' HB2' ' A' ' 46' ' ' LEU . 8.2 tp -81.9 120.1 24.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.3 t -81.46 128.96 67.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.656 0.741 . . . . 0.0 111.131 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 148.9 66.22 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -96.81 110.65 23.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.5 tp -128.61 130.23 47.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.9 tt -120.51 106.29 11.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.6 t0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.876 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.91 0.386 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 p -115.64 152.19 46.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 0.0 111.09 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' SER . 54.1 Cg_endo -69.75 132.88 24.26 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.631 2.22 . . . . 0.0 112.325 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' PRO . 63.7 p -36.35 -54.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -37.57 -45.21 0.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -50.47 158.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.769 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.32 156.45 39.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.39 104.43 14.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.447 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 4.0 m -149.11 175.34 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.4 m -83.15 156.88 23.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 31' ' ' LEU . 2.0 tmm_? -43.27 -46.9 6.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' N ' ' HD2' ' A' ' 30' ' ' ARG . 14.6 mt -73.66 -52.16 14.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -39.53 -57.31 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.708 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -49.81 -49.69 47.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -51.67 -69.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.617 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -51.04 -39.49 56.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 tp -40.14 -33.32 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.508 HD21 HD23 ' A' ' 47' ' ' LEU . 78.6 mt -60.86 -62.47 1.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 3.7 pt-20 -51.45 -28.19 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.522 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 11.1 mmt180 -75.12 -47.93 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 4.9 m-85 -128.57 77.65 77.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.741 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 -48.86 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.596 2.198 . . . . 0.0 112.371 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -46.98 -53.02 13.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.8 t -40.75 -36.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 135.15 164.99 10.63 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -109.93 17.38 21.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 110.799 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.2 tp -117.68 83.24 1.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.769 HD13 HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -113.58 146.56 39.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.948 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.731 ' HG ' HG22 ' A' ' 60' ' ' VAL . 6.3 mp -108.71 113.29 26.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.6 ptt85 -107.53 140.89 21.97 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.691 0.758 . . . . 0.0 110.801 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 126.16 12.94 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.7 2.266 . . . . 0.0 112.291 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.785 -179.766 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.6 t -129.79 148.18 33.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -122.97 127.68 49.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.731 HG22 ' HG ' ' A' ' 48' ' ' LEU . 68.0 t -92.77 126.93 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.8 m -107.43 118.1 35.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.9 p -124.7 128.88 49.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -112.1 86.56 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -93.36 173.8 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.1 ttt -112.26 125.52 54.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.714 ' O ' HG22 ' A' ' 69' ' ' THR . 16.4 t-80 -145.41 126.55 14.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.454 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.2 OUTLIER 71.3 36.71 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.15 37.51 30.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.714 HG22 ' O ' ' A' ' 66' ' ' HIS . 14.0 t -141.25 164.33 30.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 111.097 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -94.15 126.13 39.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.3 p -143.53 139.78 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 67.9 t -108.82 115.75 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -100.43 140.4 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -115.18 143.89 44.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -126.69 138.63 53.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 77' ' ' VAL . 4.4 tppp? -110.14 154.69 22.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.403 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 84.2 t -133.31 112.61 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -71.42 161.77 30.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -115.42 113.42 23.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -133.73 81.97 1.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.12 -160.64 29.75 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.559 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 2.96 3.1 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.734 2.289 . . . . 0.0 112.289 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.44 162.29 20.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -118.4 122.31 42.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.6 m -102.21 140.38 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.448 HG22 HG13 ' A' ' 88' ' ' VAL . 39.8 mt -81.49 149.19 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -87.34 53.09 2.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.448 HG13 HG22 ' A' ' 86' ' ' ILE . 7.1 m -114.68 178.04 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' VAL . 36.0 mt-10 -34.44 -49.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.443 ' O ' HG23 ' A' ' 88' ' ' VAL . 67.5 mt-30 -121.93 136.48 26.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.61 0.719 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 90.41 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -75.12 106.64 6.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 93.5 p -79.6 137.5 37.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.7 p -131.57 175.88 8.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 96' ' ' SER . 9.9 t -96.51 -45.61 6.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.487 ' N ' HG23 ' A' ' 95' ' ' THR . 4.8 m -140.95 166.81 23.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.6 mt -47.75 -52.21 19.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -38.9 -59.56 0.95 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -41.03 -53.11 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 85.2 t -45.49 -48.73 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 86.3 t -56.02 -47.36 80.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -60.55 -45.08 95.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.431 ' CD1' ' CD1' ' A' ' 86' ' ' ILE . 11.5 t80 -50.12 -50.31 48.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -60.02 -54.88 40.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 86.1 t -44.27 -55.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.0 t -65.87 -45.27 82.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.787 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -41.55 -60.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.5 p -67.01 139.22 57.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -54.0 -38.82 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -96.64 127.0 42.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.83 109.0 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.23 161.95 30.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.0 t -110.96 122.69 37.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.668 0.747 . . . . 0.0 111.166 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 148.56 65.03 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.556 2.171 . . . . 0.0 112.418 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.446 ' HB3' ' CB ' ' A' ' 47' ' ' LEU . 4.4 t80 -105.22 114.87 29.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.81 HD12 ' H ' ' A' ' 117' ' ' LEU . 17.4 tp -115.49 151.89 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.81 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -150.88 116.45 5.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.756 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.965 0.412 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -142.08 151.69 59.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 151.44 68.39 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.644 2.23 . . . . 0.0 112.329 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.2 m -61.38 -20.04 62.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.5 p -76.72 -19.84 57.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -74.13 146.22 43.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.402 HD11 HD12 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.73 149.88 28.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.463 ' HA ' ' CD ' ' A' ' 50' ' ' PRO . 27.0 mtmt -85.21 105.04 15.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 m -150.26 161.3 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 30' ' ' ARG . 1.4 t -86.65 137.79 32.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HG3' HD13 ' A' ' 31' ' ' LEU . 11.6 ptm180 -33.9 -41.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.829 HD22 ' H ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -56.17 -64.94 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -50.79 -46.56 59.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.484 ' CB ' HD11 ' A' ' 47' ' ' LEU . . . -55.22 -57.27 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -46.18 -63.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.728 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -58.97 -35.13 72.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -58.36 -43.36 88.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.998 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.684 HD21 HD22 ' A' ' 47' ' ' LEU . 44.4 mt -44.86 -58.44 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 6.2 pt-20 -63.28 -40.49 97.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 18.9 mtt180 -52.4 -53.78 40.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -107.55 80.65 0.96 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.666 0.746 . . . . 0.0 110.963 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -3.95 13.02 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.715 2.276 . . . . 0.0 112.343 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -106.87 -44.69 4.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.9 m -51.25 -33.7 29.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.38 -175.51 20.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -130.88 -32.0 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.949 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.462 HD12 ' CG2' ' A' ' 62' ' ' THR . 3.1 tp -85.52 94.47 9.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.684 HD22 HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -108.23 -176.6 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.453 HD12 ' C ' ' A' ' 47' ' ' LEU . 5.6 mp -143.95 130.03 19.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.5 ptt-85 -127.16 142.6 44.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.571 0.7 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.832 ' HA ' HG12 ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.75 141.32 44.97 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.807 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.832 HG12 ' HA ' ' A' ' 50' ' ' PRO . 32.9 m -111.68 161.1 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 111.088 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 t -112.16 133.15 54.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.7 t -95.88 121.64 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.464 ' HB ' HD21 ' A' ' 47' ' ' LEU . 53.1 m -107.66 114.99 29.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.462 ' CG2' HD12 ' A' ' 46' ' ' LEU . 69.7 p -119.36 134.66 55.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.47 ' HB3' HD13 ' A' ' 37' ' ' LEU . 69.4 ttt-85 -126.43 86.57 2.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -95.96 166.25 11.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.6 mtp -99.9 96.06 7.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.846 ' O ' HG22 ' A' ' 69' ' ' THR . 6.0 t-160 -107.7 136.57 47.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 52.19 27.84 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.85 40.7 99.57 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.439 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.846 HG22 ' O ' ' A' ' 66' ' ' HIS . 6.5 t -138.92 164.33 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 111.093 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -92.16 104.43 16.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.782 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.566 HG13 HG23 ' A' ' 69' ' ' THR . 16.7 m -111.12 132.35 59.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 78.3 t -129.13 114.59 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -122.79 168.37 12.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -131.69 149.2 52.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -132.17 108.11 9.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.78 146.57 51.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.5 t -111.81 101.5 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.185 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -66.04 149.8 49.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.31 88.04 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -111.14 95.68 5.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.06 -159.5 47.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.51 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 2.86 3.18 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.32 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -124.8 161.5 26.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -106.32 144.1 33.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 68.9 t -117.31 116.05 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.575 HG22 HG13 ' A' ' 88' ' ' VAL . 2.4 mt -68.82 127.45 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.082 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -72.62 75.75 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.575 HG13 HG22 ' A' ' 86' ' ' ILE . 27.2 m -134.81 -174.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -41.78 -58.82 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -107.82 143.24 26.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.522 0.677 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 89.01 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.73 2.286 . . . . 0.0 112.295 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -77.66 124.96 28.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 91.2 p -107.29 130.4 54.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.6 p -128.44 179.41 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.32 -39.18 9.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 m -142.89 -177.92 5.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.16 -28.22 63.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -53.33 -48.16 68.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.11 65.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 87.1 t -44.76 -50.3 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.402 HG13 HD21 ' A' ' 46' ' ' LEU . 91.4 t -50.2 -39.19 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -78.34 -39.99 37.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.559 ' CD1' HD12 ' A' ' 86' ' ' ILE . 21.3 t80 -47.28 -52.22 16.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -59.84 -46.18 90.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 49.3 t -50.31 -45.03 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.8 t -73.94 -55.43 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -44.6 -63.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 44.5 p -51.23 143.05 11.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -22.9 50.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -122.75 151.21 41.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.05 98.84 8.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.89 159.02 35.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.478 HG13 ' HD2' ' A' ' 114' ' ' PRO . 42.4 t -108.49 135.54 20.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.729 . . . . 0.0 111.189 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.478 ' HD2' HG13 ' A' ' 113' ' ' VAL . 54.2 Cg_endo -69.75 147.16 62.31 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.418 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -95.01 120.85 35.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.5 tp -126.67 131.52 51.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.32 110.74 15.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.0 t70 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.815 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.894 0.378 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -107.8 153.03 41.79 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.601 0.715 . . . . 0.0 111.075 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 160.65 48.93 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.0 p -61.62 -36.16 79.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p -52.79 -37.36 59.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 9.0 t80 -60.94 153.3 25.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.828 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.38 154.5 35.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.89 105.21 17.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.8 m -152.01 170.59 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.1 p -79.44 151.06 31.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.408 ' HB2' ' NH2' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -51.67 -18.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.8 mt -88.46 -50.79 6.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -56.26 -49.07 75.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.575 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -46.32 -38.34 8.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -68.35 -69.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -54.67 -21.55 11.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 33' ' ' ALA . 14.8 mt -65.15 -25.73 67.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.764 HD21 HD23 ' A' ' 47' ' ' LEU . 14.1 mt -71.15 -57.73 4.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.22 -32.9 72.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HG3' ' CD1' ' A' ' 35' ' ' LEU . 17.3 mmt180 -67.12 -54.55 20.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -108.71 78.77 0.95 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -46.12 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.415 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -51.56 -53.49 37.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 95.7 m -44.61 -50.67 9.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.22 -172.62 31.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.83 -29.52 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 110.916 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.681 ' HA ' HG22 ' A' ' 62' ' ' THR . 6.3 tp -79.33 116.46 19.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.828 HD13 HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -141.22 155.5 46.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.491 ' HG ' HG22 ' A' ' 60' ' ' VAL . 5.5 mp -120.86 118.92 31.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.408 ' NH2' ' HB2' ' A' ' 30' ' ' ARG . 24.2 ptt85 -111.77 143.66 29.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.602 0.715 . . . . 0.0 110.857 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.445 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.8 Cg_endo -69.66 124.06 10.75 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.804 -179.836 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.1 t -128.37 140.42 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.784 0.326 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 m -104.61 159.47 15.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.491 HG22 ' HG ' ' A' ' 48' ' ' LEU . 21.9 t -125.2 118.46 52.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.468 HG22 HD11 ' A' ' 37' ' ' LEU . 2.6 m -104.19 121.55 43.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.681 HG22 ' HA ' ' A' ' 46' ' ' LEU . 62.1 p -137.99 136.91 37.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -136.08 145.14 45.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -167.84 172.56 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.6 ttm -69.19 97.99 0.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.85 ' O ' HG22 ' A' ' 69' ' ' THR . 2.8 t-80 -108.95 123.74 49.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 55.94 28.24 12.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.42 17.49 76.23 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.52 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.85 HG22 ' O ' ' A' ' 66' ' ' HIS . 14.8 t -126.58 162.11 26.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -98.44 118.29 34.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.8 p -148.99 144.99 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.8 t -108.42 120.68 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -93.88 164.73 12.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -145.37 150.37 36.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -136.26 157.34 47.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.62 140.15 52.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.3 t -114.63 135.54 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 79' ' ' ARG . 32.6 tptt -87.67 149.95 23.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.414 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 17.0 tpt85 -114.48 107.14 15.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -147.77 114.9 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.55 -169.48 33.34 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 2.71 3.25 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.17 151.66 43.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -116.39 119.52 35.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.412 HG23 ' HB3' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -94.26 122.69 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.7 mt -65.23 127.25 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -68.09 74.32 0.21 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.782 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 90' ' ' GLN . 1.0 OUTLIER -134.95 -176.96 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -39.84 -48.7 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 88' ' ' VAL . 37.4 mt-30 -120.93 141.48 32.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.528 0.68 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 89.18 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -83.05 102.75 11.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.6 p -75.84 156.57 34.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 27.3 p -146.95 -177.19 5.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.6 t -100.61 -39.03 8.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.178 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.9 t -147.58 -175.18 4.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.93 -38.71 72.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.53 -52.83 52.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.67 -46.21 49.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 94.8 t -46.29 -53.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.566 HG13 HD21 ' A' ' 46' ' ' LEU . 96.8 t -49.39 -46.41 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -57.33 -36.26 70.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -64.56 -31.38 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -82.09 -46.93 13.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.974 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.4 t -45.39 -26.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.5 t -82.39 -68.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -43.8 -53.04 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.3 p -58.66 -177.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -40.78 151.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.484 ' N ' ' HD3' ' A' ' 109' ' ' LYS . 15.2 ttmt -33.05 -34.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 109' ' ' LYS . . . -154.28 130.19 10.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.2 tp -119.68 134.54 55.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.6 t -85.8 124.36 71.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.665 0.745 . . . . 0.0 111.136 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 160.85 48.17 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 46' ' ' LEU . 12.0 t80 -108.89 120.55 42.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.4 tp -137.34 130.99 31.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.1 tt -121.76 102.59 8.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.815 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.611 ' O ' HD12 ' A' ' 97' ' ' LEU . 8.3 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.93 0.395 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -144.13 149.56 45.77 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 0.0 111.147 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.76 55.84 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.391 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 m -55.44 -48.17 74.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.7 p -45.23 -42.6 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 36.4 t80 -43.76 154.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.624 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.23 153.58 34.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -102.43 104.74 15.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 m -148.54 174.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.181 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 t -79.27 160.93 26.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -59.39 -47.04 86.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 mp -76.07 -24.02 55.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 33' ' ' ALA . 29.0 mt-10 -72.92 -59.42 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.613 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -34.59 -48.77 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.32 -66.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.674 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -56.61 -32.86 65.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' CD2' HD22 ' A' ' 26' ' ' LEU . 6.0 tp -43.61 -22.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.582 HD23 ' CE2' ' A' ' 115' ' ' PHE . 77.6 mt -77.92 -55.11 5.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 2.6 pt-20 -51.65 -26.51 9.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 74.0 mtt-85 -84.37 -40.67 17.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -126.31 59.49 31.5 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.02 29.95 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.636 2.224 . . . . 0.0 112.313 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -93.57 -16.98 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 p -79.99 -32.41 39.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.52 -179.95 24.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.49 ' HA ' HD22 ' A' ' 37' ' ' LEU . 12.7 p30 -125.02 -26.46 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.375 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.421 HD21 HG13 ' A' ' 101' ' ' VAL . 9.0 tp -81.39 90.02 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.624 HD13 HD11 ' A' ' 26' ' ' LEU . 1.7 pp -115.37 148.49 39.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.53 ' HG ' HG22 ' A' ' 60' ' ' VAL . 5.2 mp -120.3 110.57 16.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 59' ' ' SER . 0.1 OUTLIER -99.16 151.24 37.32 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.593 0.711 . . . . 0.0 110.864 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 124.04 10.71 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.687 2.258 . . . . 0.0 112.374 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.799 -179.832 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.241 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.7 t -139.47 147.7 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 49' ' ' ARG . 31.0 m -111.75 159.18 18.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.53 HG22 ' HG ' ' A' ' 48' ' ' LEU . 48.1 t -133.56 124.05 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.1 m -108.11 112.17 24.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.166 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.6 p -119.24 127.02 52.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.484 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . 4.2 tmm_? -111.26 83.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -86.92 155.86 20.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.4 ttm -102.39 125.62 49.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.566 ' O ' HG22 ' A' ' 69' ' ' THR . 10.6 t-80 -122.89 103.41 8.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.36 31.35 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.01 43.87 32.1 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 66' ' ' HIS . 4.9 t -127.3 154.66 44.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 111.151 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.475 ' CG ' ' O ' ' A' ' 70' ' ' HIS . 1.6 p80 -99.22 122.42 42.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.7 t -149.45 134.75 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 82.5 t -108.32 104.98 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -94.24 140.59 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -122.02 131.89 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -109.84 141.04 43.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.987 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 77' ' ' VAL . 28.2 tptt -108.76 156.37 19.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.41 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 98.2 t -133.36 122.35 44.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 145.38 29.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -95.21 109.86 21.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -129.79 83.68 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.06 -157.19 36.89 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.43 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -2.32 9.96 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 pttm -114.53 170.88 7.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -123.0 109.99 14.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.8 t -86.55 124.79 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.477 HD12 ' CD1' ' A' ' 103' ' ' TYR . 6.1 mt -67.81 145.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -92.82 65.35 4.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.477 HG13 HG22 ' A' ' 86' ' ' ILE . 17.4 m -130.41 -178.56 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.056 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' VAL . 24.5 tp10 -36.42 -60.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -106.7 135.49 19.52 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.576 0.703 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 86.39 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.627 2.218 . . . . 0.0 112.373 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.728 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 50.5 t80 -81.02 109.93 16.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.0 p -81.98 151.65 27.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.447 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 17.5 p -141.23 -175.31 4.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.84 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.9 t -109.33 -29.13 8.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.6 p -163.66 176.21 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 20' ' ' GLU . 37.3 mt -58.66 -34.02 70.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -52.82 -44.63 66.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 94' ' ' CYS . . . -64.0 -50.03 70.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.3 t -45.05 -56.2 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 105' ' ' VAL . 89.6 t -46.83 -42.04 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -69.81 -45.99 66.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.728 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 55.6 t80 -46.74 -45.06 19.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -67.02 -40.95 87.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 101' ' ' VAL . 89.9 t -58.44 -50.96 76.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 t -72.35 -48.38 42.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -43.84 -54.64 5.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 67.5 p -82.19 144.74 30.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -70.39 -67.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -41.92 163.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.63 109.69 19.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.099 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.0 tp -91.51 111.14 22.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.5 t -85.39 123.03 73.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.66 0.743 . . . . 0.0 111.065 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 144.58 54.29 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.722 2.281 . . . . 0.0 112.321 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.582 ' CE2' HD23 ' A' ' 37' ' ' LEU . 1.8 t80 -83.65 114.0 21.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.7 tp -122.86 138.41 54.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.441 HD13 ' N ' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -126.87 117.53 22.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.966 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.441 ' N ' HD13 ' A' ' 117' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.563 ' HG2' HG23 ' A' ' 21' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.908 0.385 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.563 HG23 ' HG2' ' A' ' 20' ' ' GLU . 1.2 p -110.02 152.64 43.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 159.61 52.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.635 2.223 . . . . 0.0 112.325 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.5 p -61.8 -38.57 88.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.0 m -53.88 -24.33 15.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.818 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 3.5 t80 -76.07 150.2 37.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.906 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.36 156.22 39.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -98.38 105.2 17.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -153.36 154.82 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.407 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 1.6 m -54.07 161.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.819 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.6 HH12 HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -71.04 -26.31 63.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.87 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.6 HD12 HH12 ' A' ' 30' ' ' ARG . 11.6 mt -87.56 -20.86 25.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 35' ' ' LEU . 22.7 mt-10 -80.73 -58.68 2.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -36.5 -35.69 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -66.76 -44.29 81.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.653 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -66.79 -40.03 88.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.5 mt -47.36 -29.95 2.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.585 HD13 ' CB ' ' A' ' 63' ' ' ARG . 62.4 mt -65.47 -67.21 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -50.98 -26.29 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.574 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 48.3 mmt-85 -71.73 -50.28 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.817 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 2.8 m-85 -125.08 80.49 64.17 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.69 0.757 . . . . 0.0 110.927 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -47.19 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.632 2.221 . . . . 0.0 112.399 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.49 -37.83 63.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.65 -46.97 83.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 154.49 -178.73 31.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.539 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.468 ' HA ' HD22 ' A' ' 37' ' ' LEU . 8.7 p30 -122.67 -29.52 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.604 ' HB2' HD23 ' A' ' 112' ' ' LEU . 6.7 tp -78.94 126.24 30.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.906 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -151.21 163.47 38.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.837 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.672 ' N ' HD12 ' A' ' 47' ' ' LEU . 6.9 mp -124.83 124.58 42.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.473 ' CD ' ' HA ' ' A' ' 30' ' ' ARG . 41.6 ptt85 -118.35 151.49 49.54 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.646 0.736 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 123.21 9.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.356 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.876 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 p -141.11 133.52 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 111.093 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.417 ' OG ' ' CG ' ' A' ' 49' ' ' ARG . 4.7 p -88.33 159.45 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.538 HG21 ' CE2' ' A' ' 104' ' ' PHE . 60.3 t -125.06 93.66 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.9 m -82.74 116.9 22.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.7 p -127.65 124.66 38.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.585 ' CB ' HD13 ' A' ' 37' ' ' LEU . 3.8 tmt_? -119.21 83.49 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 65' ' ' MET . 4.9 tp60 -92.63 144.74 25.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.446 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 2.4 ttt -72.88 112.24 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.742 ' O ' HG22 ' A' ' 69' ' ' THR . 3.9 m170 -126.62 145.0 50.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 m120 43.08 34.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 51.59 43.77 53.4 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.428 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 66' ' ' HIS . 14.5 t -140.22 165.73 26.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 111.118 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -95.3 104.85 16.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.701 HG23 HG23 ' A' ' 69' ' ' THR . 62.4 t -129.38 132.83 66.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.544 HG22 ' CG ' ' A' ' 63' ' ' ARG . 24.9 t -119.12 131.61 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -119.1 160.46 22.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -140.59 130.8 24.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -114.45 146.17 40.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 77' ' ' VAL . 6.9 tmtm? -105.42 143.32 33.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.41 ' N ' ' HD3' ' A' ' 76' ' ' LYS . 92.3 t -117.72 122.29 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 79' ' ' ARG . 12.0 ttmm -86.56 153.8 21.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.466 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -111.3 108.24 17.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -134.72 104.13 5.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.53 -157.36 53.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -0.41 6.85 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.362 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -126.81 156.24 41.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -117.28 121.44 41.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.0 t -91.55 138.09 20.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.64 ' CD1' ' CD1' ' A' ' 103' ' ' TYR . 25.0 mt -81.96 135.63 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.31 76.26 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.0 m -142.02 178.12 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 88' ' ' VAL . 14.5 mt-10 -35.03 -56.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -110.79 130.48 22.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 88.19 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.659 2.239 . . . . 0.0 112.428 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.665 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 73.8 t80 -81.04 121.53 26.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 90.8 p -77.92 146.18 35.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 24.7 m -137.29 114.83 11.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.06 -36.49 65.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.1 m -155.62 172.11 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 26.0 mt -56.91 -30.45 63.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.58 -43.33 75.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.16 -55.38 25.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.059 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.1 t -38.24 -53.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.663 ' O ' HG23 ' A' ' 105' ' ' VAL . 41.1 t -51.8 -48.66 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -64.12 -54.75 29.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.665 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 8.3 t80 -43.45 -44.99 6.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.538 ' CE2' HG21 ' A' ' 60' ' ' VAL . 11.3 m-85 -70.68 -43.41 69.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 101' ' ' VAL . 37.1 t -45.04 -45.76 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.6 t -90.39 -47.69 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.779 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 108' ' ' THR . 81.9 t60 -48.92 -64.69 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 107' ' ' HIS . 40.9 p -36.06 -64.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -149.67 -178.13 6.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -46.35 -37.95 8.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -165.57 132.09 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.604 HD23 ' HB2' ' A' ' 46' ' ' LEU . 7.4 tp -125.58 160.27 30.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.7 t -113.3 128.63 25.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.676 0.75 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 164.29 35.12 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' LEU . 33.8 t80 -115.98 122.05 44.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.827 HD12 ' H ' ' A' ' 117' ' ' LEU . 16.4 tp -128.63 149.07 50.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.827 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -138.29 107.75 6.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.83 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.861 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.885 0.374 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -137.38 148.85 63.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.612 0.72 . . . . 0.0 111.212 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 146.9 61.83 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.312 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.2 m -48.73 -40.29 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.46 ' HA ' HD13 ' A' ' 116' ' ' LEU . 29.8 p -47.48 -43.41 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.545 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 67.7 t80 -50.05 152.97 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.766 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.48 152.39 31.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -90.91 104.94 17.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.544 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 2.9 m -150.87 163.1 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -76.56 -176.94 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -66.09 -43.12 88.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' GLN . 11.1 mt -81.73 -52.3 7.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -36.75 -39.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.544 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . . . -72.21 -45.19 61.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' LEU . 15.9 tt0 -55.74 -37.78 68.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -83.63 -24.17 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 mt -67.85 -20.74 65.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.615 HD21 HD23 ' A' ' 47' ' ' LEU . 62.6 mt -76.08 -67.12 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -54.25 -30.8 51.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -70.85 -38.46 73.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -131.17 70.18 82.3 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.681 0.753 . . . . 0.0 110.915 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -37.37 9.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.238 . . . . 0.0 112.386 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.05 -27.14 68.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -85.59 37.93 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.74 179.98 46.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -132.92 -52.62 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 110.864 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.525 HD21 HG13 ' A' ' 101' ' ' VAL . 9.9 tp -50.07 89.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.766 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -114.19 143.17 45.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 47' ' ' LEU . 6.3 mp -108.88 119.27 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.456 ' HD3' ' HB3' ' A' ' 33' ' ' ALA . 15.0 ptt85 -116.6 136.84 23.25 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.545 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.4 Cg_endo -69.79 125.01 11.63 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.874 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.2 m -107.21 177.21 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 111.056 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -104.41 143.4 33.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.84 115.13 46.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 29.5 m -97.25 113.29 24.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.9 p -125.68 131.67 52.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -110.46 92.29 3.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -95.65 -175.5 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.6 mtp -126.28 107.58 10.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.577 ' O ' HG22 ' A' ' 69' ' ' THR . 52.1 t60 -122.57 127.98 50.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 t30 67.18 27.37 8.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.24 39.34 97.06 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 66' ' ' HIS . 1.3 t -140.83 160.03 40.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 0.0 111.147 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 70' ' ' HIS . 5.3 p80 -83.17 116.2 22.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.0 m -122.5 147.88 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.4 t -133.69 111.3 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.77 134.4 55.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -114.21 116.69 29.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -84.01 145.9 28.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -112.67 127.99 56.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.5 t -94.21 107.08 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -62.64 160.84 13.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -113.51 111.93 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.28 79.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.15 -150.98 43.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 -0.85 7.59 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.687 2.258 . . . . 0.0 112.295 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -112.35 159.82 18.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.935 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -115.72 111.86 21.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.9 t -90.6 132.95 33.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 87' ' ' ASP . 12.5 mt -83.79 155.14 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.448 ' N ' HG22 ' A' ' 86' ' ' ILE . 5.4 t70 -96.44 71.53 2.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 90' ' ' GLN . 3.4 m -138.23 172.8 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -38.19 -50.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.509 ' O ' HG23 ' A' ' 88' ' ' VAL . 13.7 tt0 -105.18 130.39 23.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.558 0.694 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 85.5 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.374 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.571 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 80.8 t80 -89.67 116.59 27.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.4 p -102.92 166.79 10.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.54 ' SG ' ' CE2' ' A' ' 92' ' ' PHE . 38.1 m -159.06 161.64 36.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.9 p -83.89 -48.53 9.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.542 ' HG ' ' CG ' ' A' ' 98' ' ' ASP . 80.0 p -116.04 165.68 12.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 98' ' ' ASP . 13.5 mt -64.83 -48.95 72.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.542 ' CG ' ' HG ' ' A' ' 96' ' ' SER . 0.6 OUTLIER -37.81 -61.92 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -42.44 -43.68 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.4 t -56.32 -46.25 81.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.525 HG13 HD21 ' A' ' 46' ' ' LEU . 47.4 t -55.97 -41.86 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -65.35 -55.2 19.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.571 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 30.8 t80 -39.56 -65.48 0.38 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 103' ' ' TYR . 10.1 m-85 -35.55 -56.29 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 62.0 t -39.64 -54.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.0 t -70.47 -45.59 65.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.414 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 76.4 t60 -45.87 -56.58 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.456 HG21 ' CD1' ' A' ' 112' ' ' LEU . 66.5 p -54.54 -174.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.29 7.36 9.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.52 169.58 14.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.06 97.69 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.456 ' CD1' HG21 ' A' ' 108' ' ' THR . 66.6 mt -93.17 157.12 16.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 114' ' ' PRO . 95.5 t -129.62 138.9 34.14 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.596 0.712 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 113' ' ' VAL . 54.3 Cg_endo -69.76 147.82 63.73 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.679 2.253 . . . . 0.0 112.394 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 5.5 t80 -101.37 138.44 38.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 24' ' ' CYS . 58.5 tp -147.87 158.4 44.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 117' ' ' LEU . 0.5 OUTLIER -137.69 117.91 13.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 179.86 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.952 0.406 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.509 HG22 HD12 ' A' ' 97' ' ' LEU . 1.1 p -146.22 148.33 34.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.518 0.675 . . . . 0.0 111.213 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.543 ' HG3' HG21 ' A' ' 101' ' ' VAL . 53.9 Cg_endo -69.73 146.03 59.14 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.73 2.287 . . . . 0.0 112.386 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.3 m -46.78 -49.04 20.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.3 p -42.02 -43.95 3.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -49.38 152.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.775 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.42 151.72 31.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -92.38 104.83 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.56 175.04 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.095 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.8 p -86.73 160.54 18.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.415 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -57.8 -21.28 41.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.0 mt -87.34 -55.99 3.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.566 ' HA ' HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -48.05 -58.31 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.539 ' HB1' HD21 ' A' ' 47' ' ' LEU . . . -34.06 -38.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -67.96 -51.52 46.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.66 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -56.17 -41.47 75.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.797 HD23 ' CZ ' ' A' ' 115' ' ' PHE . 2.5 mp -50.91 -26.57 6.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 45' ' ' ASN . 59.7 mt -74.62 -66.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -54.97 -35.87 64.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.58 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 6.3 mmm-85 -73.76 -51.25 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -119.13 76.59 15.86 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.674 0.75 . . . . 0.0 110.93 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -45.97 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.588 2.192 . . . . 0.0 112.363 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -54.97 -39.49 69.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.2 m -52.01 -43.82 63.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.35 178.49 23.53 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.504 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -120.06 -38.68 2.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.379 . . . . 0.0 110.866 -179.852 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.5 tp -74.67 92.11 2.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.775 HD13 HD11 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -116.02 134.63 54.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.855 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.3 mp -101.87 119.33 38.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.415 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 41.8 ptt85 -115.57 152.28 47.01 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.634 0.73 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 148.04 64.5 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.65 2.233 . . . . 0.0 112.414 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.6 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.807 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.9 t -139.77 138.85 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 111.061 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.6 t -107.64 146.21 32.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -119.1 116.43 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.5 m -97.73 128.71 44.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 79.4 p -135.38 124.73 24.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.622 ' HD3' HG22 ' A' ' 72' ' ' VAL . 13.0 tpt85 -105.77 100.97 10.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -105.97 178.05 4.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.1 tpt -115.34 110.0 18.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.614 ' O ' HG22 ' A' ' 69' ' ' THR . 68.8 t60 -132.48 148.43 52.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.78 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 39.3 41.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 43.06 42.81 5.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 66' ' ' HIS . 11.3 t -140.31 148.14 40.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 111.117 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.43 ' HB3' ' NH2' ' A' ' 63' ' ' ARG . 6.9 p80 -75.97 112.07 12.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.48 139.48 51.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.622 HG22 ' HD3' ' A' ' 63' ' ' ARG . 57.4 t -127.65 120.22 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.432 ' HD2' ' CZ ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -109.51 145.01 36.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' A' ' 74' ' ' HIS . 1.8 p80 -128.04 105.73 8.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.432 ' CZ ' ' HD2' ' A' ' 73' ' ' ARG . 98.3 m-85 -81.13 141.01 34.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -103.14 160.66 14.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 78.2 t -129.95 132.62 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -100.49 151.46 21.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -96.63 97.89 9.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.27 85.24 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.15 -153.16 49.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -3.51 12.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.749 2.299 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.38 166.56 13.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -117.32 138.79 51.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.0 m -109.23 134.57 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.505 ' CD1' ' CD1' ' A' ' 103' ' ' TYR . 52.6 mt -79.89 154.0 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.429 ' N ' HG22 ' A' ' 86' ' ' ILE . 1.2 m-20 -88.4 64.56 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.48 HG13 HG22 ' A' ' 86' ' ' ILE . 30.0 m -131.81 179.54 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' VAL . 4.5 tt0 -34.36 -58.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -114.25 143.06 29.05 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 85.01 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.403 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.575 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 30.3 t80 -66.44 106.38 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.5 p -75.92 143.58 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.421 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 29.1 p -145.9 141.8 28.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 96' ' ' SER . 10.0 t -66.35 -41.9 88.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.43 ' N ' HG23 ' A' ' 95' ' ' THR . 70.7 m -143.13 176.48 9.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.798 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.509 HD12 HG22 ' A' ' 21' ' ' THR . 9.5 mt -61.93 -45.05 95.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 97' ' ' LEU . 1.5 t70 -38.24 -55.61 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.421 ' HB3' ' HB2' ' A' ' 94' ' ' CYS . . . -50.65 -52.94 35.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 99.9 t -41.43 -50.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.611 ' O ' HG23 ' A' ' 105' ' ' VAL . 69.4 t -52.72 -49.75 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -60.64 -43.14 97.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.575 ' CD2' ' CD1' ' A' ' 92' ' ' PHE . 56.3 t80 -52.09 -51.44 57.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -61.94 -55.39 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 101' ' ' VAL . 94.7 t -39.27 -48.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.7 t -76.64 -54.13 7.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -44.29 -62.25 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 110' ' ' LYS . 12.8 t -46.56 148.75 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -67.69 -60.59 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.533 ' O ' HG23 ' A' ' 108' ' ' THR . 0.5 OUTLIER -80.33 157.78 26.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.41 88.49 6.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.163 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.1 mp -68.2 139.78 56.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 18.3 t -94.05 131.18 32.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.634 0.73 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.89 130.66 19.56 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.292 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.797 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 3.3 t80 -80.69 127.44 32.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.9 tp -143.24 144.67 32.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tt -130.48 109.91 11.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.986 0.422 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 p -140.75 151.83 64.14 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.568 0.699 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 134.45 27.9 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.729 2.286 . . . . 0.0 112.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.7 m -38.91 -51.18 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.9 p -40.11 -44.47 1.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -45.98 153.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.479 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.29 151.12 30.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.5 104.99 17.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.425 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 3.0 m -152.29 170.79 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.179 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.8 m -81.01 165.3 21.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 4.6 ptp180 -50.87 -34.56 28.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 32' ' ' GLU . 12.9 mt -85.84 -53.81 4.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' LEU . 15.8 mm-40 -37.44 -40.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.608 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -71.29 -48.45 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.076 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -57.15 -52.25 66.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 35' ' ' LEU . 1.9 pp -63.06 -31.57 72.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.62 -32.88 74.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.68 HD13 ' HB2' ' A' ' 63' ' ' ARG . 95.3 mt -72.37 -65.78 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 8.4 pt-20 -40.09 -34.54 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.468 ' NH1' HD13 ' A' ' 35' ' ' LEU . 28.1 mtt85 -73.76 -51.02 17.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -114.08 76.52 3.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.689 0.757 . . . . 0.0 110.974 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -45.47 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.657 2.238 . . . . 0.0 112.337 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -61.67 -46.12 91.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 m -45.74 -55.96 5.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.59 157.53 17.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.437 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.573 ' HA ' HD22 ' A' ' 37' ' ' LEU . 2.8 p-10 -115.31 -39.47 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.797 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.8 97.51 3.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.956 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.608 HD11 ' HB1' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -117.83 148.24 42.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.589 ' HG ' HG22 ' A' ' 60' ' ' VAL . 6.5 mp -114.49 115.92 28.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.429 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 6.5 ptm180 -113.35 145.19 32.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.83 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 130.57 19.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.719 2.28 . . . . 0.0 112.35 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.79 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.0 t -119.76 145.02 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m -114.19 150.11 34.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.589 HG22 ' HG ' ' A' ' 48' ' ' LEU . 61.4 t -115.69 123.22 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.4 m -112.15 117.99 34.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.184 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.6 p -115.09 142.11 47.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.09 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.68 ' HB2' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -126.54 85.03 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -98.89 140.03 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 8.4 tpt -84.62 107.23 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.528 ' HB3' HG22 ' A' ' 69' ' ' THR . 3.7 t-160 -69.81 -178.88 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' HIS . 6.0 t-20 -33.66 -39.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -177.42 35.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 66' ' ' HIS . 6.1 t -141.32 155.41 45.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 111.167 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -100.43 103.96 15.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.3 t -118.82 133.53 65.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.4 t -119.53 119.89 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -98.15 171.62 8.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -145.1 135.97 24.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -126.6 160.76 29.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -129.51 164.02 24.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.2 t -133.37 144.7 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.191 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -107.86 175.48 5.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.74 93.63 4.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -117.32 85.28 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.23 -155.52 51.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 3.02 3.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.246 . . . . 0.0 112.307 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.7 154.86 43.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -111.52 144.13 41.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 85' ' ' VAL . 27.1 m -119.52 115.5 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.2 mt -55.71 151.48 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.93 59.74 5.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 90' ' ' GLN . 10.7 m -126.79 168.48 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' VAL . 49.9 mm-40 -36.62 -45.9 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.574 ' O ' HG23 ' A' ' 88' ' ' VAL . 65.4 tt0 -113.32 124.67 30.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 86.36 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -66.78 102.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.1 m -88.36 130.71 35.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 28.6 p -137.26 -179.73 5.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.1 t -73.92 -38.56 64.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.4 p -168.13 165.88 13.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 98' ' ' ASP . 15.9 mt -39.57 -42.65 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' LEU . 33.3 t70 -36.41 -49.56 0.72 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.28 -50.15 72.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.065 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.8 t -43.37 -53.24 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.7 t -44.93 -46.05 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -74.2 -43.1 58.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -48.8 -46.06 41.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.987 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -61.37 -52.75 63.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 112' ' ' LEU . 87.8 t -49.05 -61.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.185 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.3 t -58.74 -51.26 70.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -43.96 -58.62 2.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.872 HG21 HD11 ' A' ' 112' ' ' LEU . 81.5 p -65.49 135.75 55.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -51.75 -33.73 36.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -94.86 158.84 15.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.807 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -83.01 98.02 9.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.872 HD11 HG21 ' A' ' 108' ' ' THR . 84.9 mt -69.95 107.04 3.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.408 HG13 ' HD2' ' A' ' 114' ' ' PRO . 97.5 t -76.62 132.12 72.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.562 0.696 . . . . 0.0 111.148 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.408 ' HD2' HG13 ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.73 151.93 69.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -106.7 133.71 50.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 41.5 tp -140.11 147.38 40.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.02 111.31 5.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.868 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.026 0.441 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -132.03 150.45 76.13 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.655 0.741 . . . . 0.0 111.086 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.06 15.16 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 t -74.99 -37.25 61.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -57.73 -37.13 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -55.43 146.82 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.707 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.56 153.13 32.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -93.63 104.8 16.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.437 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 4.3 m -150.38 171.75 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 m -95.97 144.31 26.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 27.8 ptt180 -42.41 -42.1 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.827 HD22 ' H ' ' A' ' 31' ' ' LEU . 2.0 mm? -51.34 -57.71 8.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 35' ' ' LEU . 15.3 mm-40 -66.44 -61.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.804 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -33.84 -38.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 32' ' ' GLU . 6.0 tt0 -64.94 -48.51 73.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.695 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -77.38 -19.23 56.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 33' ' ' ALA . 12.0 mt -62.94 -20.08 64.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.564 HD21 HD23 ' A' ' 47' ' ' LEU . 18.1 mt -75.25 -58.47 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -37.75 72.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -60.69 -56.05 25.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -116.3 78.14 7.94 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.664 0.745 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -50.15 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.629 2.219 . . . . 0.0 112.358 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -51.28 -28.57 12.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.4 m -84.34 35.69 0.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.79 -176.07 11.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -128.82 -29.46 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 115' ' ' PHE . 10.9 tp -64.19 98.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.707 HD13 HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -123.55 153.85 40.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.998 179.867 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 47' ' ' LEU . 8.1 mp -115.8 123.63 48.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 30' ' ' ARG . 12.4 ptt85 -122.59 147.5 50.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.561 0.696 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 127.34 14.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.879 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.8 p -145.33 143.13 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 111.1 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 m -95.99 155.0 16.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.27 108.79 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.9 m -89.61 112.62 23.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.1 p -122.6 118.77 28.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.405 ' CB ' HD13 ' A' ' 37' ' ' LEU . 10.2 ttp85 -108.88 92.17 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -82.64 -176.96 6.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.0 tpt -128.58 105.22 8.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 68' ' ' GLY . 4.0 t-160 -105.97 -173.9 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' HIS . 0.4 OUTLIER -33.32 93.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 66' ' ' HIS . . . 35.37 34.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.561 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.451 ' CG2' ' HB3' ' A' ' 66' ' ' HIS . 11.3 t -139.92 131.99 27.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.81 0.338 . . . . 0.0 111.189 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -96.9 107.67 20.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.88 145.07 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 68.1 t -124.36 96.72 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -96.99 153.72 17.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -128.08 121.67 30.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -108.25 121.57 45.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -93.43 140.2 29.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 85' ' ' VAL . 99.1 t -113.42 115.37 49.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.156 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 85' ' ' VAL . 20.3 ttpt -69.48 156.98 38.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -108.14 128.43 54.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -150.02 105.85 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.01 -157.48 35.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.47 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 -6.97 19.82 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.792 2.328 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.9 pttm -110.42 152.64 26.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -102.04 140.9 35.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 77' ' ' VAL . 69.7 t -116.48 130.31 71.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.537 HG22 HG22 ' A' ' 88' ' ' VAL . 46.5 mt -86.67 142.19 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 4.7 t70 -89.01 66.09 7.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.537 HG22 HG22 ' A' ' 86' ' ' ILE . 4.1 m -132.97 -175.88 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 88' ' ' VAL . 2.9 pt-20 -33.25 -62.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -111.68 138.75 21.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.511 0.672 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 86.57 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.683 2.255 . . . . 0.0 112.285 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 103' ' ' TYR . 45.3 t80 -74.73 112.48 10.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.1 p -98.57 137.58 37.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.56 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 21.5 p -126.65 -175.11 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.0 t -100.94 -14.74 17.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' LEU . 76.8 p -168.91 143.44 3.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' SER . 0.8 OUTLIER -32.89 -49.78 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 97' ' ' LEU . 9.7 t0 -36.22 -64.38 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.56 ' HB3' ' HB2' ' A' ' 94' ' ' CYS . . . -38.94 -52.88 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.089 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.428 HG11 HG21 ' A' ' 77' ' ' VAL . 61.5 t -39.45 -44.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.183 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.02 -36.19 74.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 99' ' ' ALA . 16.3 m-80 -72.81 -39.77 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.483 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 60.1 t80 -44.06 -49.62 8.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 106' ' ' SER . 49.4 m-85 -59.9 -57.77 11.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 104' ' ' PHE . 98.8 t -35.86 -33.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 104' ' ' PHE . 1.7 t -90.29 -52.99 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 108' ' ' THR . 1.1 t-80 -50.11 -52.46 34.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.542 HG21 ' HA ' ' A' ' 111' ' ' ALA . 6.9 t -34.27 131.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 110' ' ' LYS . 20.4 ptmt -43.69 -45.59 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 109' ' ' LYS . 10.2 mmmt -116.85 -69.76 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.542 ' HA ' HG21 ' A' ' 108' ' ' THR . . . -163.34 174.87 11.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 tp -162.35 110.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.5 HG13 ' HD2' ' A' ' 114' ' ' PRO . 91.2 t -77.13 134.41 67.64 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.66 0.743 . . . . 0.0 111.108 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.5 ' HD2' HG13 ' A' ' 113' ' ' VAL . 53.6 Cg_endo -69.76 169.23 19.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.256 . . . . 0.0 112.39 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 46' ' ' LEU . 18.7 t80 -118.99 113.91 21.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.442 HD12 ' H ' ' A' ' 117' ' ' LEU . 37.3 tp -126.21 143.09 51.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.442 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -134.55 106.8 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.98 179.815 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.903 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.884 0.373 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.544 HG22 HD12 ' A' ' 97' ' ' LEU . 1.1 p -123.91 149.13 58.92 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.57 0.7 . . . . 0.0 111.146 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 157.36 60.8 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 m -56.75 -48.56 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.6 p -40.28 -45.22 2.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 6.6 t80 -46.96 148.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.591 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.53 152.15 31.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -90.79 104.82 17.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 m -151.86 166.26 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.0 m -89.42 151.81 21.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -38.74 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.797 HD22 ' H ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -60.31 -46.88 88.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.596 ' OE1' HD21 ' A' ' 35' ' ' LEU . 14.1 mm-40 -68.5 -64.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.705 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -34.06 -33.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' GLU . 38.1 tt0 -73.17 -68.05 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.634 ' C ' HD12 ' A' ' 35' ' ' LEU . 3.2 pp -52.35 -26.69 12.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' ' 33' ' ' ALA . 19.9 mt -58.36 -26.66 63.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.477 HD21 HD23 ' A' ' 47' ' ' LEU . 23.3 mt -72.1 -60.31 2.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 8.5 pt-20 -62.07 -38.43 88.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.517 ' HD2' HD13 ' A' ' 35' ' ' LEU . 15.5 mtp85 -59.48 -54.3 48.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -117.0 81.01 11.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.637 0.732 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 -36.2 11.13 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.339 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -67.79 -54.22 20.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.1 m -39.47 -46.17 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 154.77 -175.9 32.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.449 HD22 ' CD1' ' A' ' 112' ' ' LEU . 3.1 p30 -132.32 -32.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.66 ' HB2' HD23 ' A' ' 112' ' ' LEU . 10.5 tp -78.79 90.77 4.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.591 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -112.16 157.84 20.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 47' ' ' LEU . 5.8 mp -124.49 115.8 21.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.06 140.61 37.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.549 0.69 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.72 132.91 24.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.886 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.504 HG22 ' N ' ' A' ' 59' ' ' SER . 7.8 p -136.51 158.1 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 111.191 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.504 ' N ' HG22 ' A' ' 58' ' ' VAL . 1.8 m -111.17 156.99 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.451 HG12 HG23 ' A' ' 62' ' ' THR . 21.7 t -116.33 121.84 68.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 m -102.69 106.0 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.451 HG23 HG12 ' A' ' 60' ' ' VAL . 50.0 p -121.94 139.35 53.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.7 ttp85 -131.75 92.37 3.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.8 mp0 -90.68 154.37 19.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.4 tpt -79.93 121.47 25.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.554 ' O ' HG22 ' A' ' 69' ' ' THR . 47.6 t60 -148.33 143.68 27.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.819 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 44.47 41.09 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 43.68 38.45 4.25 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 66' ' ' HIS . 5.5 t -139.74 156.0 47.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.84 0.352 . . . . 0.0 111.135 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -91.95 106.56 18.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.796 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.0 p -111.52 133.82 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.14 119.04 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -110.42 159.65 17.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -130.51 140.13 50.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -129.73 118.25 21.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -92.66 148.23 22.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.1 t -123.5 123.27 67.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.7 150.07 32.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -111.76 104.67 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -144.33 114.68 7.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.39 -165.35 54.34 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.445 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.89 2.02 3.99 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.606 2.204 . . . . 0.0 112.284 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.01 167.04 18.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -126.62 107.84 10.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 85' ' ' VAL . 27.0 m -79.47 115.11 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.486 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 64.8 mt -56.65 153.31 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.427 ' N ' HG22 ' A' ' 86' ' ' ILE . 3.3 t70 -87.7 64.34 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 90' ' ' GLN . 2.1 m -127.84 178.3 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' VAL . 0.5 OUTLIER -34.12 -47.65 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 88' ' ' VAL . 58.3 mt-30 -124.19 140.21 34.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 91.94 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.738 ' CD2' ' CD1' ' A' ' 103' ' ' TYR . 34.4 t80 -74.85 102.57 4.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.1 p -71.24 116.18 11.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.804 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 26.6 p -114.21 131.04 56.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.0 p -59.15 -36.07 74.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 t -153.04 179.07 9.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.544 HD12 HG22 ' A' ' 21' ' ' THR . 11.6 mt -65.12 -45.2 86.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.33 -49.04 9.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -54.3 -38.77 66.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.9 t -52.97 -45.16 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.489 HG13 HD21 ' A' ' 46' ' ' LEU . 66.0 t -57.28 -34.33 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -82.06 -22.83 36.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.738 ' CD1' ' CD2' ' A' ' 92' ' ' PHE . 90.6 t80 -54.3 -51.34 64.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.416 ' O ' HG23 ' A' ' 108' ' ' THR . 42.8 m-85 -73.69 -37.49 65.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 101' ' ' VAL . 4.6 t -42.8 -52.52 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.201 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -58.39 -67.24 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.809 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.444 ' NE2' ' O ' ' A' ' 103' ' ' TYR . 2.8 m-70 -41.44 -68.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 109' ' ' LYS . 72.4 p -36.84 155.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 108' ' ' THR . 15.0 tptt -33.29 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.29 -52.91 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -175.12 159.79 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.056 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.66 HD23 ' HB2' ' A' ' 46' ' ' LEU . 9.8 tp -116.75 115.27 25.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.57 119.09 29.97 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.561 0.696 . . . . 0.0 111.222 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.98 18.59 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.71 2.273 . . . . 0.0 112.306 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -79.17 140.5 37.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.5 tp -147.44 131.9 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.99 112.24 17.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.962 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.863 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.854 ' HG3' HG23 ' A' ' 21' ' ' THR . 4.7 pt-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.914 0.388 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.854 HG23 ' HG3' ' A' ' 20' ' ' GLU . 1.2 p -123.34 150.7 61.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.573 0.702 . . . . 0.0 111.092 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 146.94 61.27 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.688 2.258 . . . . 0.0 112.317 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.2 m -43.1 -48.01 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.3 m -38.26 -44.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.466 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 51.6 t80 -50.54 154.63 1.27 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.707 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.25 152.93 32.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -94.74 104.97 16.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.507 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 3.0 m -148.67 175.22 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.2 m -82.5 160.34 22.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.476 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 3.7 tmt_? -56.07 -42.37 76.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.82 -45.15 53.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' HD23 ' A' ' 36' ' ' LEU . 15.0 mt-10 -53.59 -60.21 3.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.507 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . . . -41.89 -30.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -73.52 -45.73 51.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.59 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -70.04 -33.34 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 32' ' ' GLU . 4.3 mm? -53.81 -16.61 1.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' A' ' 63' ' ' ARG . 95.8 mt -81.54 -56.38 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.61 -31.7 70.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -73.8 -51.93 14.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -119.54 71.45 13.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 110.997 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -44.84 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -60.14 -26.71 66.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.7 m -65.48 -43.11 91.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.07 167.34 21.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.634 HD22 HD21 ' A' ' 112' ' ' LEU . 13.1 t30 -118.87 -27.95 5.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.804 ' HB2' HD23 ' A' ' 112' ' ' LEU . 6.1 tp -90.33 97.72 11.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.707 HD13 HD11 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -116.81 157.2 25.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.977 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.516 ' HG ' HG22 ' A' ' 60' ' ' VAL . 6.8 mp -120.36 118.54 30.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.476 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 7.4 ptm180 -116.17 148.05 40.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.662 0.744 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.466 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.9 150.61 67.59 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.284 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.84 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.2 m -102.83 170.44 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -112.44 139.3 48.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.516 HG22 ' HG ' ' A' ' 48' ' ' LEU . 60.4 t -99.57 128.97 50.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 60.8 m -110.52 105.42 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.474 HG23 HG12 ' A' ' 60' ' ' VAL . 29.8 p -119.4 138.13 53.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.417 ' H ' ' CG ' ' A' ' 45' ' ' ASN . 6.7 tmm_? -123.24 95.67 4.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.92 140.81 31.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.2 tpt -73.55 98.37 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -121.32 142.91 49.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 45.34 28.89 0.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 54.87 36.81 60.71 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.422 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.491 HG23 HG23 ' A' ' 71' ' ' VAL . 5.1 t -139.7 135.47 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.925 0.393 . . . . 0.0 111.163 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -62.83 119.41 9.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.826 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.491 HG23 HG23 ' A' ' 69' ' ' THR . 46.4 t -135.68 131.42 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 62.1 t -115.34 115.13 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.9 tpt85 -99.67 134.99 41.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -111.04 129.87 55.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -115.64 126.53 54.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -93.19 131.52 38.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.972 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.6 t -95.58 115.86 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -63.31 179.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.1 tpt85 -142.21 106.68 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -144.11 113.95 7.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 56.8 -159.98 8.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.533 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 2.5 3.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -122.64 169.55 10.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -119.7 173.63 6.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 t -142.18 131.1 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.525 HG22 HG13 ' A' ' 88' ' ' VAL . 56.4 mt -76.25 154.95 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.452 ' N ' HG22 ' A' ' 86' ' ' ILE . 4.1 t70 -89.52 43.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.525 HG13 HG22 ' A' ' 86' ' ' ILE . 18.9 m -111.36 -179.8 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -40.72 -64.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -97.26 133.37 24.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.611 0.719 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 81.02 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -65.49 124.63 22.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.4 p -97.88 145.94 25.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.404 ' SG ' ' CG2' ' A' ' 100' ' ' VAL . 13.1 p -145.71 160.79 41.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.813 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.1 p -80.97 -40.4 24.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -146.86 155.15 42.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.535 HD12 HG22 ' A' ' 21' ' ' THR . 19.4 mt -43.55 -38.61 3.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.89 -59.55 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.22 -49.9 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.404 ' CG2' ' SG ' ' A' ' 94' ' ' CYS . 71.6 t -45.78 -53.78 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 105' ' ' VAL . 73.2 t -44.75 -45.12 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -68.93 -48.75 62.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -38.93 -50.04 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.995 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.439 ' O ' HG22 ' A' ' 108' ' ' THR . 41.0 m-85 -63.77 -43.98 94.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 101' ' ' VAL . 70.2 t -49.23 -34.62 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.6 t -87.36 -56.65 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -43.58 -53.34 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 104' ' ' PHE . 9.6 t -47.12 136.43 8.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 110' ' ' LYS . 4.6 ptmm? -47.85 -43.75 28.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 111' ' ' ALA . 18.4 mtpp -122.95 123.37 40.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 110' ' ' LYS . . . -34.59 113.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.049 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.804 HD23 ' HB2' ' A' ' 46' ' ' LEU . 6.3 tp -91.12 157.57 17.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.427 HG13 ' HD2' ' A' ' 114' ' ' PRO . 95.1 t -106.04 133.02 20.41 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.651 0.739 . . . . 0.0 111.148 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.427 ' HD2' HG13 ' A' ' 113' ' ' VAL . 53.7 Cg_endo -69.77 165.33 31.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.342 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.52 ' CD2' HD21 ' A' ' 26' ' ' LEU . 60.0 t80 -111.11 133.77 53.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.1 tp -148.54 134.36 18.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.91 108.9 12.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.474 ' O ' HD12 ' A' ' 97' ' ' LEU . 38.3 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.942 0.401 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.555 HG22 HD12 ' A' ' 97' ' ' LEU . 1.6 p -143.65 152.33 55.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.594 0.711 . . . . 0.0 111.118 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 155.11 66.75 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.266 . . . . 0.0 112.358 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -54.64 -53.92 48.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.455 ' HA ' HD13 ' A' ' 116' ' ' LEU . 31.9 m -40.01 -41.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -45.48 152.5 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.82 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.18 154.85 36.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.442 ' CD ' ' HG3' ' A' ' 50' ' ' PRO . 27.6 mmtp -99.19 104.74 16.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 3.7 m -148.05 173.55 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.6 m -85.39 148.95 25.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.458 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 10.4 ptp85 -44.61 -46.13 9.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 22.8 mt -71.63 -39.2 70.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.671 ' HA ' HD23 ' A' ' 35' ' ' LEU . 44.6 mt-10 -60.47 -60.33 3.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -34.59 -37.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.45 -46.1 74.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.725 HD13 HH11 ' A' ' 39' ' ' ARG . 0.7 OUTLIER -57.98 -31.45 66.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 115' ' ' PHE . 2.5 mp -72.35 -32.82 66.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' A' ' 63' ' ' ARG . 75.8 mt -56.4 -41.74 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -88.33 -47.25 8.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.725 HH11 HD13 ' A' ' 35' ' ' LEU . 6.5 mtt85 -51.05 -49.08 61.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.58 ' CE2' HD11 ' A' ' 117' ' ' LEU . 8.8 m-85 -109.9 80.95 1.87 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 110.914 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -19.17 36.25 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 43' ' ' CYS . 16.7 pt-20 -83.46 -46.44 12.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 69.3 m -44.43 -56.11 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 149.28 -171.13 29.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -119.35 -41.86 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.72 90.91 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.82 HD13 HD11 ' A' ' 26' ' ' LEU . 1.4 pp -117.73 138.13 52.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mp -97.83 129.97 44.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 8.8 ptm180 -121.92 152.42 59.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.608 0.718 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.442 ' HG3' ' CD ' ' A' ' 27' ' ' LYS . 54.2 Cg_endo -69.74 126.67 13.59 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.863 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.9 t -138.29 140.32 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 m -111.8 160.51 17.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.9 t -121.75 136.6 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.17 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.0 m -120.06 122.1 40.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.4 p -128.85 142.83 50.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.155 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.527 ' HD3' HG22 ' A' ' 72' ' ' VAL . 8.4 tpp85 -103.8 88.21 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -112.28 129.21 56.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.4 ptm -90.86 136.11 33.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.888 ' O ' HG22 ' A' ' 69' ' ' THR . 73.5 t60 -129.42 159.32 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 41.69 33.02 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.51 41.04 99.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.439 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.888 HG22 ' O ' ' A' ' 66' ' ' HIS . 10.1 t -141.27 150.81 43.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 111.103 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -81.41 109.44 15.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.826 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.474 HG23 HG23 ' A' ' 69' ' ' THR . 67.8 t -139.71 135.49 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.527 HG22 ' HD3' ' A' ' 63' ' ' ARG . 83.9 t -105.99 138.53 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.177 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 12.3 tpt180 -117.83 150.14 39.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.435 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 22.4 p80 -127.77 132.25 49.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -108.91 162.15 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -129.3 153.64 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.4 t -130.0 120.99 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 79' ' ' ARG . 44.0 tttt -87.2 151.41 23.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.462 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 5.0 tmm_? -103.25 114.35 28.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -129.15 92.39 3.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.68 -157.47 39.92 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.522 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -6.05 17.67 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.51 162.38 19.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -99.86 163.02 12.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.6 t -140.68 111.59 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.7 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 73.0 mt -61.37 150.07 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -93.29 52.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.629 HG13 HG22 ' A' ' 86' ' ' ILE . 30.8 m -117.49 -179.35 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' VAL . 48.7 mt-10 -34.17 -59.04 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -110.99 139.04 21.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 85.96 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.586 ' CE2' ' HB2' ' A' ' 103' ' ' TYR . 78.9 t80 -70.82 114.06 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 86.4 p -92.74 141.99 27.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.494 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 29.2 p -143.78 160.72 40.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.0 p -85.36 -23.55 27.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.4 m -156.16 163.99 38.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.555 HD12 HG22 ' A' ' 21' ' ' THR . 13.8 mt -55.74 -46.05 77.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 97' ' ' LEU . 1.6 m-20 -37.15 -50.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.494 ' HB3' ' HB2' ' A' ' 94' ' ' CYS . . . -54.2 -42.59 69.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 97' ' ' LEU . 67.0 t -46.02 -53.77 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.782 ' O ' HG23 ' A' ' 105' ' ' VAL . 78.2 t -49.23 -42.4 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -67.84 -46.31 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.7 ' CD2' ' CD1' ' A' ' 86' ' ' ILE . 69.0 t80 -43.56 -53.58 5.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -63.66 -53.43 51.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 101' ' ' VAL . 89.7 t -40.27 -50.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.6 t -76.16 -44.07 39.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -44.48 -64.06 0.77 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.0 t -61.61 157.54 17.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.169 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 -21.7 23.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -91.15 162.12 14.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.22 81.1 5.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.88 163.63 7.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.3 t -124.44 128.07 25.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.618 0.723 . . . . 0.0 111.139 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 148.19 64.8 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.607 2.205 . . . . 0.0 112.386 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 36' ' ' LEU . 2.7 t80 -92.75 111.96 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 24' ' ' CYS . 57.6 tp -131.17 138.44 49.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.58 HD11 ' CE2' ' A' ' 40' ' ' TYR . 2.3 tt -132.3 105.91 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.529 ' O ' HD23 ' A' ' 117' ' ' LEU . 6.8 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.018 0.437 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 p -144.16 152.81 55.4 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.543 0.687 . . . . 0.0 111.104 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 143.66 51.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.614 2.21 . . . . 0.0 112.399 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.8 p -44.38 -52.71 7.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.409 ' SG ' HD13 ' A' ' 48' ' ' LEU . 15.8 p -42.87 -39.22 2.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -46.96 150.07 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.72 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.35 155.74 38.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -101.24 104.77 15.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.495 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 3.9 m -146.69 174.36 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 28' ' ' VAL . 4.9 t -81.12 -176.24 5.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 26.6 ptt180 -69.3 -49.84 52.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.41 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 26.6 mt -74.29 -39.08 63.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.01 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -50.86 -63.77 1.02 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.796 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -39.58 -40.87 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -59.51 -70.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.618 ' C ' HD12 ' A' ' 35' ' ' LEU . 1.1 pp -51.33 -35.38 37.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 tp -49.85 -24.73 2.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.53 ' CD2' HD23 ' A' ' 47' ' ' LEU . 56.2 mt -71.66 -64.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -58.64 -30.09 67.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' A' ' 35' ' ' LEU . 17.1 mmt180 -65.49 -51.04 62.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.4 ' CD1' ' HB3' ' A' ' 39' ' ' ARG . 21.6 m-85 -125.84 73.38 70.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.684 0.754 . . . . 0.0 110.932 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -36.37 10.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -63.96 -26.9 68.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.9 m -87.3 35.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.26 178.03 50.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.401 HD22 HD21 ' A' ' 112' ' ' LEU . 0.4 OUTLIER -130.04 -44.06 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.915 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.563 ' HB2' HD23 ' A' ' 112' ' ' LEU . 3.6 tp -58.04 89.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.796 HD11 ' HB1' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -112.33 135.81 52.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.856 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.666 ' HG ' HG22 ' A' ' 60' ' ' VAL . 6.5 mp -97.65 121.39 39.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 7.0 ptm180 -114.27 139.73 24.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.609 0.719 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.595 ' HA ' HG23 ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.76 153.44 68.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.749 2.299 . . . . 0.0 112.294 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.849 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.595 HG23 ' HA ' ' A' ' 50' ' ' PRO . 7.4 p -138.79 160.11 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 111.167 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.471 ' N ' HG22 ' A' ' 58' ' ' VAL . 24.6 t -120.6 162.12 20.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.666 HG22 ' HG ' ' A' ' 48' ' ' LEU . 94.3 t -120.55 132.84 69.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.6 m -110.09 114.67 28.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.086 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.1 p -128.39 128.6 44.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.456 ' HB2' HD13 ' A' ' 37' ' ' LEU . 34.5 ttt180 -120.23 107.74 13.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -116.06 153.58 31.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.6 tpt -82.95 106.92 15.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.723 ' O ' HG22 ' A' ' 69' ' ' THR . 72.2 m-70 -123.02 145.41 48.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 m120 41.32 43.13 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.04 41.43 6.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.543 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.723 HG22 ' O ' ' A' ' 66' ' ' HIS . 15.0 t -140.12 164.92 28.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.817 0.341 . . . . 0.0 111.169 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -95.84 118.02 31.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.446 HG23 HG23 ' A' ' 69' ' ' THR . 89.0 t -137.61 134.22 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.439 HG22 ' HG3' ' A' ' 63' ' ' ARG . 94.2 t -118.82 116.11 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.423 ' NH1' ' HA ' ' A' ' 75' ' ' TYR . 2.0 tmt_? -104.61 146.91 28.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -126.21 114.33 18.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.423 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 66.3 m-85 -88.97 134.28 34.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 87' ' ' ASP . 5.6 ttpm? -99.9 151.66 21.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.8 t -129.61 137.11 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 79' ' ' ARG . 34.8 tttp -93.64 152.52 18.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.402 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 0.8 OUTLIER -110.83 102.4 10.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -124.23 96.04 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.57 -152.77 51.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -6.36 18.4 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -110.16 160.78 16.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -118.75 104.27 10.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.938 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.08 108.96 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.586 ' CG2' HG13 ' A' ' 88' ' ' VAL . 54.4 mt -52.02 148.0 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 1.6 t70 -94.79 45.85 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.586 HG13 ' CG2' ' A' ' 86' ' ' ILE . 20.4 m -108.59 176.55 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 88' ' ' VAL . 10.5 tp10 -34.68 -48.81 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -116.28 132.73 23.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.701 0.763 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 87.05 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.702 2.268 . . . . 0.0 112.366 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -76.58 102.51 6.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.2 p -87.02 121.87 30.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 31.1 p -123.93 -177.62 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.8 p -87.02 -43.42 12.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -149.71 178.53 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 98' ' ' ASP . 46.4 mt -57.08 -42.25 80.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' LEU . 43.6 t0 -37.88 -58.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.2 -57.25 7.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.3 t -38.17 -55.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.512 ' O ' HG23 ' A' ' 105' ' ' VAL . 57.4 t -43.85 -48.21 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -66.63 -39.13 88.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -53.18 -50.22 65.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -59.87 -47.08 87.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 101' ' ' VAL . 85.0 t -48.01 -59.09 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.195 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.5 t -61.26 -54.87 38.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -42.96 -54.42 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.844 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 109' ' ' LYS . 25.4 p -60.44 130.19 45.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 108' ' ' THR . 35.1 ttpt -36.75 -58.69 0.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.809 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.59 136.63 44.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.55 104.07 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.563 HD23 ' HB2' ' A' ' 46' ' ' LEU . 6.3 tp -76.12 161.88 28.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.456 HG13 ' HD2' ' A' ' 114' ' ' PRO . 53.7 t -103.31 133.58 20.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.631 0.729 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.456 ' HD2' HG13 ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.85 154.84 66.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.627 2.218 . . . . 0.0 112.294 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.402 ' HB3' ' CB ' ' A' ' 47' ' ' LEU . 2.6 t80 -98.48 115.21 28.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.4 tp -130.18 132.88 46.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 tp -137.02 109.65 7.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.819 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -163.35 123.7 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.38 . . . . 0.0 110.9 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -169.94 172.19 6.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.77 93.67 0.11 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.551 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -142.65 116.05 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.6 m -144.31 152.67 41.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.826 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.6 148.24 2.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 10' ' ' LEU . 68.7 mt-10 -53.34 174.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.466 ' O ' ' C ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -37.2 -30.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 9' ' ' VAL . 13.2 tp 33.16 46.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.61 2.93 28.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.4 32.48 4.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -100.59 134.28 43.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -135.2 151.26 50.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -155.46 140.46 17.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 17' ' ' ARG . 30.1 ptt180 -114.25 -15.19 12.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 16' ' ' ARG . 15.3 ptp180 34.85 45.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.08 63.52 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.669 ' H ' HD12 ' A' ' 19' ' ' LEU . 5.0 mp -62.61 -68.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.485 ' HG3' HG23 ' A' ' 21' ' ' THR . 6.1 pt-20 -106.76 -34.87 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 20' ' ' GLU . 1.3 p -100.47 152.24 37.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 111.094 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.57 38.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.628 2.219 . . . . 0.0 112.364 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -40.68 -48.93 3.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.6 p -41.14 -41.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.403 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 40.6 t80 -55.24 155.07 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.869 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.43 151.47 30.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.93 104.79 17.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.2 m -152.13 168.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.197 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -95.23 150.87 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 31' ' ' LEU . 14.4 ttt180 -40.36 -63.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' ARG . 8.4 mp -37.22 -36.53 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' GLN . 20.1 mm-40 -84.16 -56.68 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.461 ' O ' HD21 ' A' ' 47' ' ' LEU . . . -39.42 -27.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . 5.2 tm0? -80.14 -66.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.944 HD12 ' N ' ' A' ' 36' ' ' LEU . 2.7 pp -52.56 -46.03 66.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.944 ' N ' HD12 ' A' ' 35' ' ' LEU . 19.6 mt -40.72 -26.69 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.615 HD13 ' HB2' ' A' ' 63' ' ' ARG . 31.4 mt -73.05 -58.31 3.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 3.8 pt-20 -62.68 -30.07 71.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.426 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 11.3 mtp85 -68.81 -52.37 30.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -120.8 78.27 30.56 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.657 0.741 . . . . 0.0 110.91 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -44.34 2.12 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.681 2.254 . . . . 0.0 112.26 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -50.65 -31.01 14.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 60.4 m -86.1 38.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.0 177.21 2.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' O ' ' CD2' ' A' ' 37' ' ' LEU . 17.7 p30 -122.78 -14.03 7.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.524 HD21 HG13 ' A' ' 101' ' ' VAL . 8.1 tp -79.17 103.86 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.869 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -131.06 159.66 36.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.593 ' N ' HD12 ' A' ' 47' ' ' LEU . 6.5 mp -118.74 131.87 56.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' C ' ' HD2' ' A' ' 49' ' ' ARG . 3.3 ppt_? -129.31 143.83 50.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.533 0.682 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.403 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.8 123.45 10.1 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.642 2.228 . . . . 0.0 112.349 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.7 m -63.86 -179.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.61 -51.61 0.65 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.418 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -159.73 176.68 11.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.34 -74.28 0.21 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -130.56 177.64 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.065 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.41 121.79 42.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.67 -179.08 21.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.397 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.7 p -112.63 156.59 13.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.796 0.332 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -105.15 161.12 14.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.445 HG12 HG23 ' A' ' 62' ' ' THR . 71.7 t -121.44 108.97 23.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.099 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.643 HG23 ' NE2' ' A' ' 74' ' ' HIS . 4.6 m -85.17 119.23 25.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.445 HG23 HG12 ' A' ' 60' ' ' VAL . 66.5 p -135.01 123.15 22.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.615 ' HB2' HD13 ' A' ' 37' ' ' LEU . 30.1 ttp180 -108.01 93.37 4.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -104.44 156.97 17.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 tpt -67.46 127.29 32.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.808 ' O ' HG22 ' A' ' 69' ' ' THR . 2.0 t60 -136.89 123.9 21.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 43.08 26.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.27 42.41 83.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.808 HG22 ' O ' ' A' ' 66' ' ' HIS . 7.6 t -134.4 160.82 36.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 111.206 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -96.11 103.78 15.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.4 p -145.03 143.11 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.405 HG23 ' HB2' ' A' ' 63' ' ' ARG . 1.9 p -115.02 146.76 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -117.34 143.55 45.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.643 ' NE2' HG23 ' A' ' 61' ' ' THR . 8.3 m-70 -120.84 104.98 10.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.802 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -79.96 160.81 25.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 87' ' ' ASP . 35.7 tptt -117.23 149.12 40.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.961 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.5 t -125.19 119.15 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -77.81 159.75 28.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -121.87 92.38 3.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -112.97 88.42 2.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.07 -154.05 40.56 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 3.37 2.78 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.747 2.298 . . . . 0.0 112.368 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -118.76 166.09 13.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -125.82 103.5 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.8 t -72.57 141.16 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.3 mt -92.86 133.06 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 76' ' ' LYS . 23.1 p-10 -73.41 77.49 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 89' ' ' GLU . 15.3 m -143.66 -176.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 88' ' ' VAL . 2.6 mp0 -36.43 -64.68 0.32 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -108.03 144.03 28.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.612 0.72 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 82.3 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.745 2.296 . . . . 0.0 112.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -71.61 110.86 6.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.8 p -86.04 134.55 33.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.4 p -122.63 -176.39 3.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.6 t -113.4 -18.46 12.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 t -161.07 171.91 17.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.87 -38.47 88.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -48.54 -53.85 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -43.01 -56.68 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.3 t -42.09 -58.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.563 ' O ' HG23 ' A' ' 105' ' ' VAL . 98.3 t -46.54 -40.26 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.194 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -72.08 -58.44 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.525 ' C ' ' CD1' ' A' ' 103' ' ' TYR . 1.5 t80 -41.9 -42.33 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -63.24 -41.55 99.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 101' ' ' VAL . 91.3 t -57.66 -53.57 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.6 t -69.29 -33.96 73.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -56.22 -61.1 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.815 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.7 p -54.64 154.71 4.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.407 ' HD2' ' C ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -79.87 -2.07 41.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -131.35 142.08 50.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.55 96.27 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.058 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.0 mt -76.63 171.2 15.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 114' ' ' PRO . 93.7 t -129.95 136.69 29.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.725 0.774 . . . . 0.0 111.12 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.57 ' HD2' HG13 ' A' ' 113' ' ' VAL . 54.3 Cg_endo -69.76 162.44 42.05 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 116' ' ' LEU . 5.7 t80 -110.54 140.95 44.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.45 HD12 ' H ' ' A' ' 117' ' ' LEU . 56.6 tp -149.67 155.42 40.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.45 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -150.19 111.44 4.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -146.28 173.14 12.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.855 0.36 . . . . 0.0 110.918 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 t -122.04 129.67 52.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.41 128.58 7.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.426 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 m -106.88 149.92 26.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.4 m -143.72 176.88 8.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.789 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.63 43.74 1.61 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -69.97 -4.59 21.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.7 t -100.24 -25.34 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 tp -68.91 94.33 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 13' ' ' GLU . . . -136.15 173.56 11.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER 34.15 33.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 11' ' ' ALA . 34.0 mm-40 -94.6 -17.64 22.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -101.5 18.76 19.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.01 144.45 25.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 60.03 24.97 14.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -47.8 121.22 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.0 57.64 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.715 HD23 ' H ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -74.05 -42.03 60.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -49.72 -38.92 35.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -112.54 152.38 44.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 111.155 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 167.14 25.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.761 2.307 . . . . 0.0 112.366 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 m -67.59 -46.01 73.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 p -50.54 -31.03 14.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -57.93 151.72 17.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.938 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.41 151.77 31.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.41 104.98 17.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 36' ' ' LEU . 4.4 m -150.88 175.24 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 t -80.9 160.11 24.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -49.0 -47.92 43.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.9 mt -70.21 -50.14 43.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 33' ' ' ALA . 40.2 mm-40 -46.17 -63.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.719 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -37.54 -37.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -64.58 0.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.802 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -50.7 -27.38 6.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 33' ' ' ALA . 12.2 mt -58.88 -41.5 87.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.653 HD21 HD23 ' A' ' 47' ' ' LEU . 12.3 mt -58.41 -62.68 1.67 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 9.6 pt-20 -49.12 -42.03 37.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 14.2 mmt180 -58.63 -51.5 69.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -117.61 79.79 12.88 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.643 0.735 . . . . 0.0 110.919 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -15.8 37.31 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.615 2.21 . . . . 0.0 112.375 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -88.72 -25.85 22.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.6 m -60.74 -52.56 64.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.4 -178.11 37.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -119.26 -42.53 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.635 ' HA ' HG22 ' A' ' 62' ' ' THR . 6.7 tp -77.3 102.86 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.938 HD13 HD11 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -127.38 131.83 50.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 48' ' ' LEU . 5.4 mp -98.93 119.66 38.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -112.35 149.42 41.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.674 0.749 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 146.09 59.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.653 2.235 . . . . 0.0 112.394 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -89.8 159.41 17.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.85 169.21 0.54 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -44.11 -56.93 3.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.35 79.62 0.53 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.525 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -174.22 159.31 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 111.101 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -111.26 -43.52 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -95.89 -170.15 35.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.43 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.0 m -120.21 155.55 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.837 0.351 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.3 m -90.48 146.03 24.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.54 HG12 HG23 ' A' ' 62' ' ' THR . 50.0 t -117.29 112.94 41.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.183 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 64.1 m -97.54 108.57 21.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.635 HG22 ' HA ' ' A' ' 46' ' ' LEU . 44.5 p -125.19 132.48 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.8 ptt85 -137.96 152.16 48.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -143.89 165.5 27.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.1 tpt -91.05 124.03 34.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.443 ' C ' ' OD1' ' A' ' 67' ' ' ASN . 6.3 t-80 -148.82 140.75 23.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.443 ' OD1' ' C ' ' A' ' 66' ' ' HIS . 3.8 p-10 41.79 29.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 55.63 41.4 81.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.452 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.73 HG23 HG23 ' A' ' 71' ' ' VAL . 1.1 t -125.52 163.78 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 111.149 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -102.45 107.03 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.73 HG23 HG23 ' A' ' 69' ' ' THR . 59.1 t -124.21 133.11 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.5 t -129.5 111.37 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -98.59 152.31 19.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -133.22 116.63 16.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -93.51 161.87 14.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -131.09 143.27 50.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.0 t -129.37 122.04 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.695 ' HB2' HG23 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -73.14 168.21 19.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -121.87 100.27 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -116.94 87.72 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.82 -153.21 46.89 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.436 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.67 -3.04 11.14 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.229 . . . . 0.0 112.413 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -109.0 164.73 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.464 ' CE2' ' HG ' ' A' ' 97' ' ' LEU . 36.3 m-85 -120.55 117.27 27.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.695 HG23 ' HB2' ' A' ' 78' ' ' LYS . 30.1 m -101.06 113.55 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.522 HG22 HG13 ' A' ' 88' ' ' VAL . 83.1 mt -62.95 154.7 5.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.183 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.459 ' N ' HG22 ' A' ' 86' ' ' ILE . 18.5 t0 -90.16 41.29 1.04 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.522 HG13 HG22 ' A' ' 86' ' ' ILE . 16.8 m -107.81 -175.97 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 88' ' ' VAL . 20.8 tt0 -36.52 -65.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -104.85 142.97 25.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.61 0.719 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 85.05 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.71 2.274 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -60.64 98.55 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.6 p -88.86 112.36 23.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.411 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . 27.6 p -120.18 -178.77 3.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 75.4 p -79.36 -57.54 3.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.4 m -139.38 177.5 7.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.464 ' HG ' ' CE2' ' A' ' 84' ' ' TYR . 39.2 mt -51.7 -47.8 63.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -36.0 -49.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.952 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 94' ' ' CYS . . . -57.29 -53.28 59.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.2 t -46.33 -49.05 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.153 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 105' ' ' VAL . 82.6 t -53.53 -45.45 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -68.71 -43.82 75.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -49.27 -46.14 45.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 105' ' ' VAL . 30.5 m-85 -62.28 -59.82 4.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 101' ' ' VAL . 90.8 t -36.72 -49.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.9 t -74.73 -49.56 20.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -42.97 -61.39 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.2 t -51.26 146.4 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -74.01 -12.93 60.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -124.92 125.27 43.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.33 100.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.5 mt -80.19 138.3 36.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.26 126.11 49.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 150.03 67.77 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.658 2.239 . . . . 0.0 112.351 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 8.0 t80 -97.11 127.02 42.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.0 tp -135.46 130.51 34.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.9 tp -128.59 114.0 16.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.864 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -134.66 157.34 46.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -172.45 170.09 5.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.09 102.04 0.16 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.0 t -104.72 101.38 11.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.1 p -132.12 173.47 11.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.95 -28.6 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -74.63 -2.98 28.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 81.1 t -106.75 -18.87 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.106 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tp -96.17 60.45 2.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.69 -1.42 21.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.07 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.07 5.81 48.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -83.51 -18.4 38.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -115.77 10.27 15.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.31 127.4 31.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -116.33 19.68 14.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -102.51 50.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -112.53 49.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.0 mt -75.58 -66.02 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -38.69 -61.41 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -124.46 149.11 60.56 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.545 0.688 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 179.12 3.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.451 ' C ' HD13 ' A' ' 116' ' ' LEU . 7.1 t -77.61 -33.81 53.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.9 p -59.7 -36.98 77.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.824 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -55.45 154.92 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.987 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.34 152.68 32.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -97.29 104.86 16.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 m -151.9 174.63 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.9 m -90.79 165.06 13.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.445 ' CD ' ' H ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -48.61 -56.12 9.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 mt -53.69 -46.8 70.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -59.13 -58.51 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.497 ' O ' HD21 ' A' ' 47' ' ' LEU . . . -43.59 -38.57 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.422 ' HA ' HD12 ' A' ' 37' ' ' LEU . 3.6 tt0 -75.73 -56.91 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.799 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.38 -26.05 28.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 mt -68.91 -27.37 65.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 34' ' ' GLN . 13.0 mt -70.71 -36.52 73.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -79.53 -28.7 41.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -74.69 -40.6 61.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -130.69 74.52 80.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.607 0.718 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 -36.6 10.26 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.607 2.205 . . . . 0.0 112.296 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -66.38 -45.7 79.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.8 t -45.92 -47.45 16.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.52 178.11 36.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -124.53 -28.21 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.406 ' HB2' ' CD2' ' A' ' 112' ' ' LEU . 7.6 tp -87.36 99.86 12.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.987 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -122.96 137.74 54.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.1 mp -98.71 119.37 37.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.6 ptt85 -115.19 147.17 37.9 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.66 0.743 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 139.26 39.99 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.77 2.313 . . . . 0.0 112.289 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.1 p -132.02 89.3 2.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.73 -83.68 0.36 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -102.54 -64.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.75 -58.2 0.14 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.542 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.65 -47.28 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.25 94.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.459 ' HA2' ' CG1' ' A' ' 77' ' ' VAL . . . 67.39 120.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.435 ' H ' HG12 ' A' ' 77' ' ' VAL . 29.7 m -125.5 162.2 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 0.0 111.074 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t -103.51 124.89 49.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.473 HG21 ' HE2' ' A' ' 104' ' ' PHE . 98.5 t -90.12 109.6 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.7 m -99.99 111.52 23.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.102 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.4 p -114.09 150.61 33.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 ttt-85 -118.12 85.24 2.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -98.15 162.81 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -107.41 127.41 53.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -150.06 153.38 36.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.9 t30 50.72 26.02 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.47 30.05 67.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.7 t -140.56 154.62 46.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.824 0.345 . . . . 0.0 111.131 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 70' ' ' HIS . 26.4 p-80 -76.84 119.64 20.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.5 p -128.66 143.83 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.2 t -133.33 121.79 43.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -124.19 154.28 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -118.07 162.2 18.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -137.25 108.56 6.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 3.3 ttmm -87.01 120.39 28.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 86' ' ' ILE . 9.4 p -90.28 132.95 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.09 167.55 9.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -126.98 87.85 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -118.04 91.33 3.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.5 -156.32 46.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 0.93 4.96 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.75 149.0 48.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -102.68 157.95 16.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 85' ' ' VAL . 7.0 t -128.71 91.26 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.833 HD11 HG13 ' A' ' 100' ' ' VAL . 2.8 mt -42.27 152.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.459 ' CG ' ' O ' ' A' ' 76' ' ' LYS . 41.8 p-10 -99.18 76.26 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 89' ' ' GLU . 5.9 m -136.66 -177.35 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' VAL . 4.3 tp10 -34.44 -59.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -111.58 143.1 27.87 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.532 0.682 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 88.96 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.365 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 103' ' ' TYR . 68.8 t80 -82.02 118.39 22.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 99.4 p -100.1 159.99 14.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.476 ' SG ' ' CE2' ' A' ' 92' ' ' PHE . 1.8 m -164.76 147.97 8.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.8 p -72.9 -47.11 48.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.8 m -124.38 161.55 25.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 100' ' ' VAL . 12.2 mt -60.99 -44.55 97.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -37.29 -49.45 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.54 96.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.833 HG13 HD11 ' A' ' 86' ' ' ILE . 69.5 t -52.09 -42.16 34.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.18 -43.43 93.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -60.99 -44.26 97.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.513 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 21.1 t80 -42.24 -52.27 4.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.473 ' HE2' HG21 ' A' ' 60' ' ' VAL . 34.9 m-85 -59.85 -46.8 88.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 84.8 t -43.58 -47.8 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.4 t -78.46 -45.66 21.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -52.06 -67.27 0.27 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.582 HG21 HD22 ' A' ' 112' ' ' LEU . 65.9 p -41.41 124.52 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.202 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 109' ' ' LYS . 2.2 tmtm? -56.32 -47.83 77.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.5 137.88 33.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -43.99 120.16 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.582 HD22 HG21 ' A' ' 108' ' ' THR . 5.1 tp -106.2 137.41 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.4 HG13 ' HD2' ' A' ' 114' ' ' PRO . 76.9 t -107.48 132.22 21.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.646 0.736 . . . . 0.0 111.127 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.4 ' HD2' HG13 ' A' ' 113' ' ' VAL . 54.4 Cg_endo -69.69 161.89 44.18 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.764 2.309 . . . . 0.0 112.377 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 6.6 t80 -110.3 124.75 52.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.451 HD13 ' C ' ' A' ' 23' ' ' SER . 24.9 tp -138.19 131.76 30.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.588 HD23 ' O ' ' A' ' 118' ' ' ASP . 4.9 tt -135.02 106.18 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.588 ' O ' HD23 ' A' ' 117' ' ' LEU . 2.4 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -140.29 148.08 40.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.83 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -165.42 154.37 12.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.867 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.74 91.95 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.449 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 t -153.33 155.47 36.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.389 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -168.17 139.89 2.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.68 48.87 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.442 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -65.29 -7.24 12.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 9' ' ' VAL . 19.1 m -139.5 112.05 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.442 ' CD2' ' HG2' ' A' ' 13' ' ' GLU . 2.1 tt -141.46 107.37 5.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.55 3.09 3.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.05 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.13 16.81 1.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.442 ' HG2' ' CD2' ' A' ' 10' ' ' LEU . 2.3 pt-20 -114.05 137.69 51.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -173.06 165.36 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.619 ' HB1' ' HD3' ' A' ' 17' ' ' ARG . . . -124.06 91.96 3.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -95.39 20.37 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.619 ' HD3' ' HB1' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -84.61 26.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.38 73.86 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.067 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -124.0 -37.16 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.7 -47.66 63.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -101.84 150.28 37.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 111.151 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 160.46 49.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.632 2.221 . . . . 0.0 112.347 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.5 m -67.37 -33.28 74.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.7 p -64.57 -20.23 66.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 24.8 t80 -73.7 153.71 39.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.681 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.41 153.17 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.941 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -95.33 105.07 16.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.77 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 2.8 m -151.3 158.4 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -68.47 -179.92 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -66.08 -32.78 74.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 mt -89.46 -50.82 5.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -44.4 -32.19 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.77 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . . . -77.43 -50.47 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -52.54 -47.05 66.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.726 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -66.13 -37.0 84.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.94 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 35' ' ' LEU . 10.4 mt -55.57 -20.01 11.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.969 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.548 HD21 HD23 ' A' ' 47' ' ' LEU . 62.9 mt -80.41 -65.42 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -51.2 -27.45 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -74.33 -44.77 51.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -126.33 80.48 68.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.722 0.773 . . . . 0.0 110.947 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -25.83 28.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -77.62 -36.25 51.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.8 m -54.07 -38.9 65.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.03 172.02 16.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.491 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.404 ' HA ' HD22 ' A' ' 37' ' ' LEU . 5.8 p30 -115.0 -36.95 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 0.0 110.904 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.03 108.17 11.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.681 HD13 HD11 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -133.08 132.08 41.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.7 mp -98.1 114.09 26.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -112.71 146.69 35.55 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.594 0.711 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 129.6 17.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.351 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -137.8 112.93 9.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.7 -125.18 1.81 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.91 41.89 3.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.66 -97.3 0.78 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -121.3 38.71 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -118.99 44.02 2.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.61 135.27 3.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.44 HG22 ' N ' ' A' ' 59' ' ' SER . 5.1 p -125.47 153.92 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 111.128 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.44 ' N ' HG22 ' A' ' 58' ' ' VAL . 48.0 t -124.19 147.69 47.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.43 129.87 59.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.4 m -117.99 110.32 17.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.8 p -114.53 136.92 52.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.174 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -142.71 111.86 6.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.417 ' C ' ' OE1' ' A' ' 64' ' ' GLN . 1.0 OUTLIER -141.24 132.34 26.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.0 ttm -41.98 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.619 ' O ' HG22 ' A' ' 69' ' ' THR . 8.0 t-80 -122.37 126.73 48.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.783 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 62.91 26.8 15.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.37 30.51 77.78 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.477 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 66' ' ' HIS . 12.4 t -141.37 163.65 32.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 0.0 111.143 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.422 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 47.9 p-80 -92.38 101.31 13.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.3 m -107.3 136.43 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.9 t -134.18 106.68 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -109.33 176.97 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -145.1 134.2 22.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -109.22 138.28 45.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -93.54 164.67 13.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.4 t -133.1 119.5 36.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -78.65 144.84 35.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -106.14 98.35 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -123.38 74.69 1.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 82' ' ' PRO . . . 78.1 -148.54 33.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 81' ' ' GLY . 53.6 Cg_endo -69.74 -11.22 30.4 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.736 2.291 . . . . 0.0 112.355 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -99.99 152.25 20.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -117.8 97.03 5.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 91' ' ' PRO . 43.3 t -73.93 127.36 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.643 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 43.8 mt -73.13 158.92 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.498 ' N ' HG22 ' A' ' 86' ' ' ILE . 4.1 t70 -87.34 42.91 1.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 90' ' ' GLN . 20.6 m -103.16 170.45 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' VAL . 23.1 mt-10 -38.47 -47.25 1.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.706 ' O ' HG23 ' A' ' 88' ' ' VAL . 24.0 mt-30 -113.13 140.9 24.79 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.661 0.743 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.452 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 54.1 Cg_endo -69.67 88.33 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.268 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -79.31 112.03 16.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.2 t -86.65 150.07 24.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.558 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 15.4 p -144.65 163.84 32.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.5 p -73.09 -40.54 64.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.8 m -158.09 175.14 14.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 98' ' ' ASP . 21.2 mt -49.53 -46.07 48.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 97' ' ' LEU . 17.1 t70 -36.5 -59.1 0.68 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 94' ' ' CYS . . . -47.84 -55.72 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 75.2 t -39.48 -43.41 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 105' ' ' VAL . 91.4 t -62.0 -37.86 79.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 99' ' ' ALA . 72.7 m-80 -76.72 -50.56 13.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.643 ' CD2' ' CD1' ' A' ' 86' ' ' ILE . 40.2 t80 -39.95 -54.42 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.504 ' O ' HG22 ' A' ' 108' ' ' THR . 42.0 m-85 -58.5 -57.1 14.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 101' ' ' VAL . 95.6 t -38.29 -56.26 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t -67.28 -48.82 66.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -41.97 -64.17 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 104' ' ' PHE . 3.3 t -59.74 139.8 56.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.43 ' HE2' ' C ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -49.95 -70.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -62.71 150.21 41.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.971 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.24 96.44 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.409 ' HB2' HG21 ' A' ' 108' ' ' THR . 9.4 tp -63.5 155.07 30.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 44.1 t -125.31 128.01 24.84 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.693 0.759 . . . . 0.0 111.129 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 158.5 56.82 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.647 2.232 . . . . 0.0 112.348 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 3.2 t80 -106.41 129.05 54.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.436 HD12 ' H ' ' A' ' 117' ' ' LEU . 57.7 tp -136.14 151.32 49.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.436 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -138.53 106.33 5.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 p -169.82 141.98 2.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.883 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 m -154.66 176.83 11.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.52 157.13 19.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.459 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.2 p -103.2 173.93 6.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 p -132.2 151.33 51.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.63 -50.78 0.88 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -64.12 -6.63 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.839 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t -101.69 -26.65 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.51 HD22 ' CG ' ' A' ' 13' ' ' GLU . 4.7 tt -54.15 99.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.7 5.13 13.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 pttm -82.04 38.94 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.51 ' CG ' HD22 ' A' ' 10' ' ' LEU . 1.7 pp20? -154.31 126.98 8.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -150.32 161.68 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.38 93.81 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -113.05 -16.53 12.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.66 43.11 28.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.19 49.55 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.695 HD23 ' H ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -82.33 -32.18 29.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -58.38 -43.24 88.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.556 HG22 HD12 ' A' ' 97' ' ' LEU . 2.3 p -88.36 152.0 49.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 111.183 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 144.98 55.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.314 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.0 m -46.71 -50.26 18.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 p -42.98 -30.09 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -58.89 151.9 20.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.798 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.677 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.38 152.43 32.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.943 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -97.28 104.6 16.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.2 m -150.02 174.3 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 m -81.59 170.49 15.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.927 ' HG3' HD12 ' A' ' 31' ' ' LEU . 5.8 ptp180 -61.24 -33.57 73.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.927 HD12 ' HG3' ' A' ' 30' ' ' ARG . 5.0 mp -83.69 -44.99 13.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.5 -43.74 62.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.437 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -60.37 -35.31 75.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' OE1' ' NH2' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -66.49 -55.3 16.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.65 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -62.82 -36.52 83.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.962 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 36' ' ' LEU . 9.7 mt -47.17 -26.05 1.05 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.428 HD13 ' CB ' ' A' ' 63' ' ' ARG . 70.8 mt -70.21 -59.16 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 9.5 pt-20 -56.56 -37.77 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.45 ' HD2' HD11 ' A' ' 35' ' ' LEU . 52.4 mtt-85 -66.67 -48.89 67.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 115' ' ' PHE . 11.9 m-85 -120.7 73.08 22.75 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.727 . . . . 0.0 110.859 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -40.17 5.71 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 43' ' ' CYS . 34.6 mt-10 -65.75 -56.93 9.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 42' ' ' GLU . 56.7 m -34.28 -52.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.23 -175.72 44.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.426 ' CG ' ' H ' ' A' ' 63' ' ' ARG . 8.4 t30 -131.5 -40.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.525 HD12 ' CG2' ' A' ' 62' ' ' THR . 6.4 tp -76.95 93.44 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.727 HD12 ' N ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -109.43 165.26 11.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.727 ' N ' HD12 ' A' ' 47' ' ' LEU . 5.4 mp -129.79 112.19 13.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.405 ' C ' ' HD2' ' A' ' 49' ' ' ARG . 5.0 ppt_? -106.02 144.32 28.7 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.64 0.733 . . . . 0.0 110.857 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 139.21 39.72 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.718 2.279 . . . . 0.0 112.309 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.4 p -58.64 147.43 32.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.78 -45.31 39.82 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -43.13 -47.43 6.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.9 0.381 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.36 -73.28 0.46 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.538 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -129.52 41.95 3.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.333 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -124.52 42.55 3.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.8 161.36 11.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.51 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.0 t -124.37 145.71 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -102.4 147.29 26.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.7 t -114.2 111.51 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.181 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.2 m -102.0 129.07 48.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.525 ' CG2' HD12 ' A' ' 46' ' ' LEU . 70.2 p -141.41 134.83 29.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.557 ' HB2' HG22 ' A' ' 72' ' ' VAL . 14.6 ttm180 -126.09 96.57 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.414 ' NE2' HD11 ' A' ' 112' ' ' LEU . 34.7 mt-30 -97.52 151.2 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.975 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.8 tpt -75.96 107.27 8.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -136.11 150.2 49.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 46.69 32.61 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.86 31.59 10.39 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.543 HG23 HG23 ' A' ' 71' ' ' VAL . 14.9 t -140.63 135.58 31.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.741 0.305 . . . . 0.0 111.129 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -65.71 115.31 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.543 HG23 HG23 ' A' ' 69' ' ' THR . 86.0 t -131.72 134.15 60.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.557 HG22 ' HB2' ' A' ' 63' ' ' ARG . 89.7 t -114.08 131.22 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -110.92 172.65 6.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -144.66 148.73 34.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -138.15 152.46 48.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -114.11 147.73 38.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.8 t -129.14 104.81 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -69.14 154.38 42.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 79' ' ' ARG . 3.1 tmm_? -113.55 108.62 17.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -125.73 100.24 6.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.94 -157.32 52.39 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -1.87 9.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.607 2.204 . . . . 0.0 112.368 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -122.43 166.15 15.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.4 157.98 22.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.6 t -133.14 121.38 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.061 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.508 HG22 HG13 ' A' ' 88' ' ' VAL . 56.8 mt -70.55 154.48 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.046 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.439 ' N ' HG22 ' A' ' 86' ' ' ILE . 5.8 t0 -91.14 45.6 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.508 HG13 HG22 ' A' ' 86' ' ' ILE . 11.5 m -104.94 -176.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.9 -50.27 3.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.479 ' O ' HG23 ' A' ' 88' ' ' VAL . 85.9 mt-30 -119.99 141.88 32.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 93.02 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.743 2.295 . . . . 0.0 112.347 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -77.45 112.69 14.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.0 p -87.21 132.26 33.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.799 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 21.2 p -129.37 176.62 7.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 96' ' ' SER . 7.7 t -104.07 -42.3 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.423 ' N ' HG23 ' A' ' 95' ' ' THR . 74.8 m -132.37 170.41 15.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.556 HD12 HG22 ' A' ' 21' ' ' THR . 13.1 mt -68.12 -44.29 76.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -37.09 -60.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.795 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -45.33 -58.9 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 99.4 t -38.43 -57.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 105' ' ' VAL . 58.6 t -45.06 -42.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -74.81 -38.42 62.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.424 ' CD1' ' CD1' ' A' ' 86' ' ' ILE . 33.2 t80 -52.98 -69.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 105' ' ' VAL . 13.3 m-85 -38.39 -58.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 101' ' ' VAL . 87.4 t -35.61 -46.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.08 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.7 t -81.82 -39.39 24.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -41.59 -70.09 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.793 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.614 HG23 ' N ' ' A' ' 109' ' ' LYS . 9.0 t -88.7 -52.23 5.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.614 ' N ' HG23 ' A' ' 108' ' ' THR . 21.6 mmmt -93.56 -175.29 3.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.76 -34.64 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -154.13 106.34 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.533 HD11 ' HG3' ' A' ' 109' ' ' LYS . 10.3 mt -122.08 -176.89 3.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 89.3 t -127.97 125.12 23.46 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 111.08 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.4 65.07 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 40' ' ' TYR . 9.7 t80 -92.92 112.93 25.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.6 tp -114.1 143.05 45.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 tp -140.71 118.24 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.422 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 2.5 p30 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 m -98.04 109.39 22.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -57.37 -50.93 71.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.27 150.66 8.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.491 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -154.99 159.7 40.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.362 . . . . 0.0 110.863 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -168.0 -179.54 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.93 -37.54 1.42 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -66.88 -7.24 20.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.897 0.379 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.427 HG22 ' H ' ' A' ' 9' ' ' VAL . 1.3 m -74.51 -32.55 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.32 113.71 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 13' ' ' GLU . . . -106.02 123.12 47.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.504 ' O ' ' CD ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER 32.04 36.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 11' ' ' ALA . 36.0 mm-40 -91.96 -51.48 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -131.14 149.57 52.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.31 123.78 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -84.9 21.82 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -70.46 94.42 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.66 45.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.2 mt -84.56 -53.48 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -43.66 -39.55 3.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.959 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -134.37 147.4 63.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.555 0.693 . . . . 0.0 111.202 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.37 66.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.0 m -48.8 -54.08 16.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.1 p -38.58 -43.58 0.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -44.5 156.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.032 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.48 151.57 30.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -97.46 104.61 16.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.497 HG11 HD11 ' A' ' 36' ' ' LEU . 5.0 m -151.66 168.58 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 m -75.36 -176.72 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.832 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.5 ttt-85 -62.5 -56.01 22.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 34' ' ' GLN . 13.0 mt -71.86 -47.63 51.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -40.48 -42.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.464 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . . . -66.42 -38.28 87.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' LEU . 10.4 tt0 -65.18 -54.11 34.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.64 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -59.45 -33.77 71.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.497 HD11 HG11 ' A' ' 28' ' ' VAL . 12.5 mt -56.17 -21.03 20.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.792 HD13 ' HB2' ' A' ' 63' ' ' ARG . 82.8 mt -76.48 -63.43 1.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -57.09 -24.05 51.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -78.05 -49.85 13.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -119.62 78.98 21.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.666 0.746 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -46.43 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.73 2.287 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' CYS . 12.4 mm-40 -52.9 -58.88 5.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLU . 77.5 m -37.46 -48.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.77 174.65 22.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.486 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.428 HD21 HD23 ' A' ' 112' ' ' LEU . 0.1 OUTLIER -115.89 -35.9 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.0 tp -72.12 93.75 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.032 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -120.35 140.71 50.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 47' ' ' LEU . 6.1 mp -103.43 105.2 15.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -104.31 143.62 27.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.636 0.731 . . . . 0.0 110.892 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 136.58 33.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.272 . . . . 0.0 112.303 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.4 m -51.57 179.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.38 -85.66 0.9 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -131.28 110.37 11.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.71 -43.31 1.27 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.544 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.04 -49.72 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 62.26 40.34 11.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -139.11 -115.64 1.31 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.2 t -145.05 143.49 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -129.96 147.26 51.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.799 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.1 t -107.45 112.47 40.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.5 m -96.9 114.05 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.3 p -120.75 123.12 41.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.792 ' HB2' HD13 ' A' ' 37' ' ' LEU . 11.3 tpt85 -84.84 86.23 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -105.39 167.56 9.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.6 tpt -102.17 124.75 48.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.515 ' O ' HG22 ' A' ' 69' ' ' THR . 4.1 t-80 -134.7 143.9 47.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 42.59 33.55 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.87 39.83 40.79 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.467 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 66' ' ' HIS . 6.1 t -138.12 148.81 45.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 111.12 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' A' ' 70' ' ' HIS . 55.1 p-80 -72.82 107.6 5.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.6 p -148.74 139.22 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.43 HG22 ' HD2' ' A' ' 63' ' ' ARG . 96.2 t -108.43 142.62 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -111.08 161.06 16.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -145.27 110.73 5.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.78 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -83.98 124.7 31.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.995 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -82.15 144.52 30.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.2 t -118.17 106.48 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 79' ' ' ARG . 5.6 tmtm? -69.04 145.67 53.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.445 ' N ' ' HD3' ' A' ' 78' ' ' LYS . 0.7 OUTLIER -104.97 105.62 15.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.453 ' O ' ' CD ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -130.64 93.43 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.65 -156.06 53.34 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 3.07 3.01 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.698 2.266 . . . . 0.0 112.275 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 94' ' ' CYS . 0.0 OUTLIER -123.45 171.62 9.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.89 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -126.29 161.04 28.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 85.6 t -130.19 127.15 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.086 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.571 HG22 HG13 ' A' ' 88' ' ' VAL . 69.8 mt -75.24 148.25 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -82.81 46.42 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.571 HG13 HG22 ' A' ' 86' ' ' ILE . 12.4 m -111.14 174.05 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -41.63 -49.57 4.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.553 ' O ' HG23 ' A' ' 88' ' ' VAL . 55.3 tt0 -109.55 129.81 23.5 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 86.8 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.409 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 30.7 t80 -72.65 115.83 12.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.5 p -89.71 131.36 35.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.831 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 83' ' ' LYS . 22.8 p -124.64 174.63 7.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 t -98.17 -33.35 11.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.4 t -148.22 164.12 34.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 98' ' ' ASP . 45.7 mt -53.08 -47.21 68.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 97' ' ' LEU . 3.1 t0 -37.76 -50.07 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -51.36 -51.59 53.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.8 t -43.35 -50.11 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 92.5 t -54.28 -50.79 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -60.82 -55.57 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.409 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 40.6 t80 -40.15 -54.91 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' A' ' 105' ' ' VAL . 22.1 m-85 -55.43 -63.89 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 104' ' ' PHE . 55.9 t -35.4 -59.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.4 t -60.03 -56.04 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -41.96 -61.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.9 t -61.67 139.39 58.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.21 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -64.96 -58.17 6.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -62.95 154.02 31.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.22 96.37 9.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.058 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.428 HD23 HD21 ' A' ' 45' ' ' ASN . 5.7 mp -73.53 166.23 23.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 70.7 t -119.32 130.94 24.57 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.584 0.707 . . . . 0.0 111.094 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 139.88 41.36 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -87.39 125.64 34.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.1 tp -134.88 131.71 37.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 tp -131.12 110.46 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -160.37 136.55 8.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.834 0.349 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 p -138.91 167.3 22.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.37 -171.82 20.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -72.45 144.51 48.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 p -106.22 173.14 6.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.81 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.47 -43.81 1.58 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -79.32 0.97 26.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.402 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 t -88.91 -31.84 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.121 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' ALA . 15.3 tp -50.48 94.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' LEU . . . -36.31 153.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.0 116.36 0.57 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.26 148.38 22.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -159.87 151.67 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.63 122.35 41.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.1 ttm-85 -101.71 20.66 15.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -89.51 43.24 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.1 51.9 1.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.82 -37.16 7.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.534 ' O ' HD12 ' A' ' 97' ' ' LEU . 14.6 pt-20 -57.45 -47.82 80.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.418 HG22 HD12 ' A' ' 97' ' ' LEU . 1.5 p -142.34 150.25 54.29 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.567 0.699 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 154.39 68.07 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.679 2.252 . . . . 0.0 112.366 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 p -58.15 -37.65 75.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.3 m -51.67 -34.83 39.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CD2' ' O ' ' A' ' 48' ' ' LEU . 8.0 t80 -61.62 150.93 34.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.623 HD11 HD12 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.47 153.72 34.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.974 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -93.29 104.91 17.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 m -147.66 174.52 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.8 m -86.92 167.82 13.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 -50.67 -49.79 56.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 mt -67.37 -52.21 42.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -42.09 -51.24 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.782 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -57.49 -61.05 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -51.45 -60.78 2.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.827 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -55.55 -33.46 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.527 ' N ' HD12 ' A' ' 35' ' ' LEU . 10.2 mt -63.77 -32.56 74.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.898 HD21 HD22 ' A' ' 47' ' ' LEU . 74.2 mt -56.72 -59.63 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -64.23 -33.84 76.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -62.2 -56.39 19.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -110.01 81.25 2.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.683 0.754 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -42.95 2.98 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.744 2.296 . . . . 0.0 112.289 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.86 -46.39 90.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.6 m -50.19 -50.29 49.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.53 -178.56 28.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.449 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.65 -42.58 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.583 ' HB2' HD23 ' A' ' 112' ' ' LEU . 5.6 tp -70.2 96.13 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.898 HD22 HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -117.11 176.71 5.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 5.8 mp -139.51 113.94 9.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -106.39 142.05 24.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.719 . . . . 0.0 110.825 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.77 144.21 53.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.298 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.9 m -95.91 38.45 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.67 -160.26 51.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -88.78 82.37 6.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.891 0.377 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.61 82.97 0.18 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 62.45 42.43 8.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 111.082 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 55' ' ' ALA . 70.3 m-20 34.45 43.38 0.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.6 140.48 16.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.504 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.456 HG22 ' N ' ' A' ' 59' ' ' SER . 10.6 p -122.91 156.14 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.456 ' N ' HG22 ' A' ' 58' ' ' VAL . 2.2 m -120.04 146.93 45.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.6 t -100.34 118.52 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.201 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.3 m -109.33 121.3 44.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.574 HG22 ' HA ' ' A' ' 46' ' ' LEU . 39.0 p -138.23 141.32 39.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.583 ' HG2' HD13 ' A' ' 37' ' ' LEU . 11.4 ptt180 -124.71 144.87 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -142.06 177.89 7.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 ttm -108.22 103.89 13.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -135.74 128.27 30.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 73.38 27.04 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 58.98 30.41 66.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.432 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -141.14 159.02 43.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.363 . . . . 0.0 111.111 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -83.29 111.07 18.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.2 m -111.01 135.04 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.3 t -132.79 117.42 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -108.9 139.7 43.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -113.07 118.87 35.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -105.9 159.49 15.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -119.21 166.72 12.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.0 t -131.38 98.52 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -69.19 160.07 31.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -111.95 104.43 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.948 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -118.16 84.95 2.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.44 -156.0 33.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.444 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -5.45 16.24 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.394 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? -122.2 169.92 10.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -117.92 144.2 45.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 85' ' ' VAL . 33.0 m -121.51 117.41 52.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 87' ' ' ASP . 76.3 mt -47.92 156.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.481 ' N ' HG22 ' A' ' 86' ' ' ILE . 9.9 t0 -91.69 46.38 1.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.468 HG13 HG22 ' A' ' 86' ' ' ILE . 15.4 m -111.64 -175.17 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -49.34 -51.76 32.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.35 130.61 22.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 86.38 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.704 2.27 . . . . 0.0 112.324 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.561 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 4.1 t80 -74.43 102.09 4.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.7 p -84.6 152.98 23.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.42 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . 26.6 p -151.02 -175.79 5.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 96' ' ' SER . 9.8 t -83.95 -43.81 14.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.442 ' N ' HG23 ' A' ' 95' ' ' THR . 3.5 m -152.18 170.18 20.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.795 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 20' ' ' GLU . 19.4 mt -46.68 -43.96 18.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -37.39 -58.3 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.42 ' CB ' ' HB2' ' A' ' 94' ' ' CYS . . . -46.46 -55.27 7.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 96.9 t -40.15 -55.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.637 ' O ' HG23 ' A' ' 105' ' ' VAL . 96.0 t -47.19 -49.95 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -60.22 -44.62 95.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -51.64 -59.74 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -49.74 -42.35 45.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 101' ' ' VAL . 90.4 t -54.1 -47.69 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 t -71.85 -51.93 19.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -45.22 -49.7 12.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.402 HG21 HD22 ' A' ' 112' ' ' LEU . 23.5 p -62.28 122.34 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -55.64 -27.61 50.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -110.95 125.02 53.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -43.35 99.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.583 HD23 ' HB2' ' A' ' 46' ' ' LEU . 8.2 tp -81.9 120.1 24.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.3 t -81.46 128.96 67.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.656 0.741 . . . . 0.0 111.131 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 148.9 66.22 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -96.81 110.65 23.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.5 tp -128.61 130.23 47.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.9 tt -120.51 106.29 11.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.6 t0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.876 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p -157.56 118.31 3.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.934 0.397 . . . . 0.0 110.835 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.0 p 42.14 42.52 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.54 104.32 0.26 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.514 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -163.55 161.54 24.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.905 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -125.54 136.93 53.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.51 72.02 0.45 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -121.12 -6.76 9.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.6 t -90.2 -30.03 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.446 ' CD2' ' HG3' ' A' ' 13' ' ' GLU . 2.0 tt -60.53 116.34 4.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.71 174.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -53.59 103.27 0.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.446 ' HG3' ' CD2' ' A' ' 10' ' ' LEU . 16.8 mt-10 -146.39 126.33 13.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -149.37 126.64 11.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.17 144.23 44.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 17' ' ' ARG . 9.9 mpt_? -103.17 -14.67 16.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 16' ' ' ARG . 13.6 tpp180 34.24 39.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.8 38.88 3.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.16 -57.91 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -40.36 -52.23 2.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 p -115.64 152.19 46.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 0.0 111.09 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' SER . 54.1 Cg_endo -69.75 132.88 24.26 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.631 2.22 . . . . 0.0 112.325 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' PRO . 63.7 p -36.35 -54.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -37.57 -45.21 0.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -50.47 158.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.769 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.32 156.45 39.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.39 104.43 14.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.447 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 4.0 m -149.11 175.34 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.4 m -83.15 156.88 23.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 31' ' ' LEU . 2.0 tmm_? -43.27 -46.9 6.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' N ' ' HD2' ' A' ' 30' ' ' ARG . 14.6 mt -73.66 -52.16 14.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -39.53 -57.31 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.708 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -49.81 -49.69 47.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -51.67 -69.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.617 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -51.04 -39.49 56.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 tp -40.14 -33.32 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.508 HD21 HD23 ' A' ' 47' ' ' LEU . 78.6 mt -60.86 -62.47 1.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 3.7 pt-20 -51.45 -28.19 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.522 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 11.1 mmt180 -75.12 -47.93 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 4.9 m-85 -128.57 77.65 77.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.741 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 -48.86 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.596 2.198 . . . . 0.0 112.371 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -46.98 -53.02 13.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.8 t -40.75 -36.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 135.15 164.99 10.63 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -109.93 17.38 21.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 110.799 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.2 tp -117.68 83.24 1.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.769 HD13 HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -113.58 146.56 39.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.948 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.731 ' HG ' HG22 ' A' ' 60' ' ' VAL . 6.3 mp -108.71 113.29 26.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.6 ptt85 -107.53 140.89 21.97 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.691 0.758 . . . . 0.0 110.801 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 126.16 12.94 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.7 2.266 . . . . 0.0 112.291 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.3 t -124.1 128.05 48.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.785 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.32 82.54 0.3 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.52 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -124.8 -58.34 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.25 -84.5 1.01 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.465 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.09 42.09 2.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.816 0.341 . . . . 0.0 111.065 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.8 t0 47.73 41.86 14.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.42 -142.05 4.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.6 t -129.79 148.18 33.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -122.97 127.68 49.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.731 HG22 ' HG ' ' A' ' 48' ' ' LEU . 68.0 t -92.77 126.93 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.8 m -107.43 118.1 35.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.9 p -124.7 128.88 49.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -112.1 86.56 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -93.36 173.8 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.1 ttt -112.26 125.52 54.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.714 ' O ' HG22 ' A' ' 69' ' ' THR . 16.4 t-80 -145.41 126.55 14.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.454 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.2 OUTLIER 71.3 36.71 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.15 37.51 30.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.714 HG22 ' O ' ' A' ' 66' ' ' HIS . 14.0 t -141.25 164.33 30.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 111.097 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -94.15 126.13 39.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.3 p -143.53 139.78 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 67.9 t -108.82 115.75 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -100.43 140.4 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -115.18 143.89 44.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -126.69 138.63 53.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 77' ' ' VAL . 4.4 tppp? -110.14 154.69 22.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.403 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 84.2 t -133.31 112.61 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -71.42 161.77 30.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -115.42 113.42 23.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -133.73 81.97 1.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.12 -160.64 29.75 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.559 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 2.96 3.1 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.734 2.289 . . . . 0.0 112.289 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.44 162.29 20.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -118.4 122.31 42.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.6 m -102.21 140.38 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.448 HG22 HG13 ' A' ' 88' ' ' VAL . 39.8 mt -81.49 149.19 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -87.34 53.09 2.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.448 HG13 HG22 ' A' ' 86' ' ' ILE . 7.1 m -114.68 178.04 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' VAL . 36.0 mt-10 -34.44 -49.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.443 ' O ' HG23 ' A' ' 88' ' ' VAL . 67.5 mt-30 -121.93 136.48 26.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.61 0.719 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 90.41 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -75.12 106.64 6.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 93.5 p -79.6 137.5 37.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.7 p -131.57 175.88 8.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 96' ' ' SER . 9.9 t -96.51 -45.61 6.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.487 ' N ' HG23 ' A' ' 95' ' ' THR . 4.8 m -140.95 166.81 23.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.6 mt -47.75 -52.21 19.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -38.9 -59.56 0.95 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -41.03 -53.11 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 85.2 t -45.49 -48.73 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 86.3 t -56.02 -47.36 80.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -60.55 -45.08 95.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.431 ' CD1' ' CD1' ' A' ' 86' ' ' ILE . 11.5 t80 -50.12 -50.31 48.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -60.02 -54.88 40.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 86.1 t -44.27 -55.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.0 t -65.87 -45.27 82.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.787 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -41.55 -60.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.5 p -67.01 139.22 57.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -54.0 -38.82 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -96.64 127.0 42.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.83 109.0 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.23 161.95 30.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.0 t -110.96 122.69 37.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.668 0.747 . . . . 0.0 111.166 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 148.56 65.03 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.556 2.171 . . . . 0.0 112.418 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.446 ' HB3' ' CB ' ' A' ' 47' ' ' LEU . 4.4 t80 -105.22 114.87 29.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.81 HD12 ' H ' ' A' ' 117' ' ' LEU . 17.4 tp -115.49 151.89 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.81 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -150.88 116.45 5.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.756 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -152.27 135.14 15.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.901 0.381 . . . . 0.0 110.838 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -148.6 150.39 33.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.54 52.51 0.45 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.8 p -87.33 146.28 25.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.875 0.369 . . . . 0.0 110.795 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 m -109.65 167.73 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.48 -62.77 2.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.419 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -71.5 -5.86 36.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.888 0.375 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 63.9 t -82.8 -26.67 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tp -66.52 102.6 0.92 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 13' ' ' GLU . . . -146.53 -178.24 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER 33.37 33.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -126.24 126.99 44.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -156.64 178.71 10.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.32 116.95 4.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -102.5 15.89 27.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 19.1 mmm180 -50.26 151.6 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 17' ' ' ARG . . . 70.05 36.61 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 pp -87.9 -18.64 28.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -100.73 -44.28 5.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -142.08 151.69 59.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 151.44 68.39 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.644 2.23 . . . . 0.0 112.329 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.2 m -61.38 -20.04 62.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.5 p -76.72 -19.84 57.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -74.13 146.22 43.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.402 HD11 HD12 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.73 149.88 28.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.463 ' HA ' ' CD ' ' A' ' 50' ' ' PRO . 27.0 mtmt -85.21 105.04 15.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 m -150.26 161.3 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 30' ' ' ARG . 1.4 t -86.65 137.79 32.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HG3' HD13 ' A' ' 31' ' ' LEU . 11.6 ptm180 -33.9 -41.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.829 HD22 ' H ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -56.17 -64.94 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -50.79 -46.56 59.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.484 ' CB ' HD11 ' A' ' 47' ' ' LEU . . . -55.22 -57.27 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -46.18 -63.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.728 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -58.97 -35.13 72.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -58.36 -43.36 88.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.998 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.684 HD21 HD22 ' A' ' 47' ' ' LEU . 44.4 mt -44.86 -58.44 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 6.2 pt-20 -63.28 -40.49 97.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 18.9 mtt180 -52.4 -53.78 40.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -107.55 80.65 0.96 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.666 0.746 . . . . 0.0 110.963 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -3.95 13.02 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.715 2.276 . . . . 0.0 112.343 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -106.87 -44.69 4.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.9 m -51.25 -33.7 29.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.38 -175.51 20.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -130.88 -32.0 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.949 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.462 HD12 ' CG2' ' A' ' 62' ' ' THR . 3.1 tp -85.52 94.47 9.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.684 HD22 HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -108.23 -176.6 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.453 HD12 ' C ' ' A' ' 47' ' ' LEU . 5.6 mp -143.95 130.03 19.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.5 ptt-85 -127.16 142.6 44.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.571 0.7 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.832 ' HA ' HG12 ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.75 141.32 44.97 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 m -126.41 125.23 41.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.74 -83.29 1.69 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.7 109.58 5.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.21 -59.31 0.59 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.419 ' HB1' ' HE3' ' A' ' 76' ' ' LYS . . . -141.33 167.55 21.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 111.109 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -99.43 97.36 8.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 137.75 -157.68 24.27 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.832 HG12 ' HA ' ' A' ' 50' ' ' PRO . 32.9 m -111.68 161.1 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 111.088 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 t -112.16 133.15 54.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.7 t -95.88 121.64 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.464 ' HB ' HD21 ' A' ' 47' ' ' LEU . 53.1 m -107.66 114.99 29.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.462 ' CG2' HD12 ' A' ' 46' ' ' LEU . 69.7 p -119.36 134.66 55.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.47 ' HB3' HD13 ' A' ' 37' ' ' LEU . 69.4 ttt-85 -126.43 86.57 2.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -95.96 166.25 11.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.6 mtp -99.9 96.06 7.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.846 ' O ' HG22 ' A' ' 69' ' ' THR . 6.0 t-160 -107.7 136.57 47.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 52.19 27.84 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.85 40.7 99.57 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.439 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.846 HG22 ' O ' ' A' ' 66' ' ' HIS . 6.5 t -138.92 164.33 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 111.093 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -92.16 104.43 16.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.782 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.566 HG13 HG23 ' A' ' 69' ' ' THR . 16.7 m -111.12 132.35 59.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 78.3 t -129.13 114.59 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -122.79 168.37 12.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -131.69 149.2 52.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -132.17 108.11 9.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HE3' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -69.78 146.57 51.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.5 t -111.81 101.5 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.185 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -66.04 149.8 49.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.31 88.04 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -111.14 95.68 5.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.06 -159.5 47.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.51 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 2.86 3.18 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.32 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -124.8 161.5 26.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -106.32 144.1 33.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 68.9 t -117.31 116.05 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.575 HG22 HG13 ' A' ' 88' ' ' VAL . 2.4 mt -68.82 127.45 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.082 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -72.62 75.75 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.575 HG13 HG22 ' A' ' 86' ' ' ILE . 27.2 m -134.81 -174.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -41.78 -58.82 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -107.82 143.24 26.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.522 0.677 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 89.01 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.73 2.286 . . . . 0.0 112.295 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -77.66 124.96 28.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 91.2 p -107.29 130.4 54.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.6 p -128.44 179.41 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.32 -39.18 9.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 m -142.89 -177.92 5.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.16 -28.22 63.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -53.33 -48.16 68.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.11 65.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 87.1 t -44.76 -50.3 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.402 HG13 HD21 ' A' ' 46' ' ' LEU . 91.4 t -50.2 -39.19 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -78.34 -39.99 37.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.559 ' CD1' HD12 ' A' ' 86' ' ' ILE . 21.3 t80 -47.28 -52.22 16.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -59.84 -46.18 90.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 49.3 t -50.31 -45.03 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.8 t -73.94 -55.43 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -44.6 -63.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 44.5 p -51.23 143.05 11.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -22.9 50.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -122.75 151.21 41.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.05 98.84 8.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.89 159.02 35.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.478 HG13 ' HD2' ' A' ' 114' ' ' PRO . 42.4 t -108.49 135.54 20.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.729 . . . . 0.0 111.189 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.478 ' HD2' HG13 ' A' ' 113' ' ' VAL . 54.2 Cg_endo -69.75 147.16 62.31 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.418 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -95.01 120.85 35.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.5 tp -126.67 131.52 51.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.32 110.74 15.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.0 t70 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.815 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -165.05 157.72 16.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.801 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.7 p -164.71 174.35 10.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.17 -53.14 1.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.459 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 55.54 42.28 29.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.862 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -81.73 166.41 20.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.1 -53.2 0.75 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -67.27 -4.63 11.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.839 0.352 . . . . 0.0 110.803 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.7 t -77.38 -23.19 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.519 HD11 ' OE1' ' A' ' 13' ' ' GLU . 1.5 tp -61.17 106.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.423 ' C ' ' HD2' ' A' ' 12' ' ' LYS . . . -155.3 159.76 40.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER 37.33 41.47 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.519 ' OE1' HD11 ' A' ' 10' ' ' LEU . 15.2 mt-10 -83.25 -57.35 3.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -120.13 175.4 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.5 158.06 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.2 -14.93 7.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 52.55 53.39 12.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 21' ' ' THR . . . -108.69 65.52 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.2 mt -81.87 -55.86 4.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.73 -47.06 76.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.421 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 1.2 p -107.8 153.03 41.79 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.601 0.715 . . . . 0.0 111.075 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 160.65 48.93 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.0 p -61.62 -36.16 79.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p -52.79 -37.36 59.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 9.0 t80 -60.94 153.3 25.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.828 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.38 154.5 35.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.89 105.21 17.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.8 m -152.01 170.59 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.1 p -79.44 151.06 31.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' HB2' ' NH2' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -51.67 -18.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.8 mt -88.46 -50.79 6.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -56.26 -49.07 75.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.575 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -46.32 -38.34 8.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -68.35 -69.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -54.67 -21.55 11.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 33' ' ' ALA . 14.8 mt -65.15 -25.73 67.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.764 HD21 HD23 ' A' ' 47' ' ' LEU . 14.1 mt -71.15 -57.73 4.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.22 -32.9 72.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HG3' ' CD1' ' A' ' 35' ' ' LEU . 17.3 mmt180 -67.12 -54.55 20.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -108.71 78.77 0.95 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -46.12 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.415 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -51.56 -53.49 37.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 95.7 m -44.61 -50.67 9.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.22 -172.62 31.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.83 -29.52 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 110.916 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.681 ' HA ' HG22 ' A' ' 62' ' ' THR . 6.3 tp -79.33 116.46 19.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.828 HD13 HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -141.22 155.5 46.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.491 ' HG ' HG22 ' A' ' 60' ' ' VAL . 5.5 mp -120.86 118.92 31.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.408 ' NH2' ' HB2' ' A' ' 30' ' ' ARG . 24.2 ptt85 -111.77 143.66 29.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.602 0.715 . . . . 0.0 110.857 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.445 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.8 Cg_endo -69.66 124.06 10.75 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 t -120.37 74.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.804 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.56 -162.01 33.66 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.447 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -96.8 42.23 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.901 0.382 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.59 -109.77 0.72 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.58 37.1 3.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -114.35 80.37 1.39 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.65 125.59 5.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.1 t -128.37 140.42 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.784 0.326 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 m -104.61 159.47 15.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.491 HG22 ' HG ' ' A' ' 48' ' ' LEU . 21.9 t -125.2 118.46 52.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.468 HG22 HD11 ' A' ' 37' ' ' LEU . 2.6 m -104.19 121.55 43.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.681 HG22 ' HA ' ' A' ' 46' ' ' LEU . 62.1 p -137.99 136.91 37.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -136.08 145.14 45.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -167.84 172.56 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.6 ttm -69.19 97.99 0.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.85 ' O ' HG22 ' A' ' 69' ' ' THR . 2.8 t-80 -108.95 123.74 49.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 55.94 28.24 12.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.42 17.49 76.23 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.52 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.85 HG22 ' O ' ' A' ' 66' ' ' HIS . 14.8 t -126.58 162.11 26.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -98.44 118.29 34.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.8 p -148.99 144.99 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.8 t -108.42 120.68 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -93.88 164.73 12.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -145.37 150.37 36.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -136.26 157.34 47.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.62 140.15 52.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.3 t -114.63 135.54 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 79' ' ' ARG . 32.6 tptt -87.67 149.95 23.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.414 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 17.0 tpt85 -114.48 107.14 15.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -147.77 114.9 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.55 -169.48 33.34 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 2.71 3.25 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.17 151.66 43.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -116.39 119.52 35.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.412 HG23 ' HB3' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -94.26 122.69 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.7 mt -65.23 127.25 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -68.09 74.32 0.21 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.782 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 90' ' ' GLN . 1.0 OUTLIER -134.95 -176.96 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -39.84 -48.7 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 88' ' ' VAL . 37.4 mt-30 -120.93 141.48 32.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.528 0.68 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 89.18 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -83.05 102.75 11.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.6 p -75.84 156.57 34.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 27.3 p -146.95 -177.19 5.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.6 t -100.61 -39.03 8.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.178 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.9 t -147.58 -175.18 4.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.93 -38.71 72.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.53 -52.83 52.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.67 -46.21 49.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 94.8 t -46.29 -53.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.566 HG13 HD21 ' A' ' 46' ' ' LEU . 96.8 t -49.39 -46.41 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -57.33 -36.26 70.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -64.56 -31.38 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -82.09 -46.93 13.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.974 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.4 t -45.39 -26.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.5 t -82.39 -68.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -43.8 -53.04 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.3 p -58.66 -177.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -40.78 151.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.484 ' N ' ' HD3' ' A' ' 109' ' ' LYS . 15.2 ttmt -33.05 -34.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 109' ' ' LYS . . . -154.28 130.19 10.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.2 tp -119.68 134.54 55.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.6 t -85.8 124.36 71.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.665 0.745 . . . . 0.0 111.136 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 160.85 48.17 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 46' ' ' LEU . 12.0 t80 -108.89 120.55 42.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.4 tp -137.34 130.99 31.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.1 tt -121.76 102.59 8.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.815 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.1 t -164.07 130.52 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.948 0.404 . . . . 0.0 110.823 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -142.13 168.55 19.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.46 172.5 17.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.441 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.3 p -145.04 176.51 9.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 m -96.77 177.46 5.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.76 115.22 6.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' VAL . 11.7 mt-10 -49.96 -179.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.971 0.415 . . . . 0.0 110.885 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 8' ' ' GLU . 5.0 m -34.22 113.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.882 HD22 ' HG3' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -130.35 98.43 4.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.15 6.64 13.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.091 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.72 30.54 6.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.971 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.882 ' HG3' HD22 ' A' ' 10' ' ' LEU . 11.8 mt-10 -73.47 -55.46 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -152.47 145.87 24.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.25 139.15 51.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HD3' ' CD ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -95.36 -13.87 24.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.429 ' CD ' ' HD3' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -76.63 48.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.02 58.77 3.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mp -79.5 -66.3 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.024 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.611 ' O ' HD12 ' A' ' 97' ' ' LEU . 8.3 mt-10 -44.18 -50.13 8.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -144.13 149.56 45.77 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 0.0 111.147 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.76 55.84 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.391 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 m -55.44 -48.17 74.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.7 p -45.23 -42.6 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 36.4 t80 -43.76 154.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.624 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.23 153.58 34.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -102.43 104.74 15.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 m -148.54 174.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.181 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 t -79.27 160.93 26.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -59.39 -47.04 86.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 mp -76.07 -24.02 55.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 33' ' ' ALA . 29.0 mt-10 -72.92 -59.42 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.613 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -34.59 -48.77 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.32 -66.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.674 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -56.61 -32.86 65.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' CD2' HD22 ' A' ' 26' ' ' LEU . 6.0 tp -43.61 -22.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.582 HD23 ' CE2' ' A' ' 115' ' ' PHE . 77.6 mt -77.92 -55.11 5.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 2.6 pt-20 -51.65 -26.51 9.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 74.0 mtt-85 -84.37 -40.67 17.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -126.31 59.49 31.5 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.02 29.95 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.636 2.224 . . . . 0.0 112.313 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -93.57 -16.98 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 p -79.99 -32.41 39.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.52 -179.95 24.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.49 ' HA ' HD22 ' A' ' 37' ' ' LEU . 12.7 p30 -125.02 -26.46 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.375 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.421 HD21 HG13 ' A' ' 101' ' ' VAL . 9.0 tp -81.39 90.02 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.624 HD13 HD11 ' A' ' 26' ' ' LEU . 1.7 pp -115.37 148.49 39.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.53 ' HG ' HG22 ' A' ' 60' ' ' VAL . 5.2 mp -120.3 110.57 16.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 59' ' ' SER . 0.1 OUTLIER -99.16 151.24 37.32 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.593 0.711 . . . . 0.0 110.864 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 124.04 10.71 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.687 2.258 . . . . 0.0 112.374 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t -101.39 103.77 14.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.799 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.18 158.19 33.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -97.22 112.23 24.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.83 73.02 0.82 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -159.11 168.55 26.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.58 41.42 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.87 139.78 11.23 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.7 t -139.47 147.7 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 49' ' ' ARG . 31.0 m -111.75 159.18 18.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.53 HG22 ' HG ' ' A' ' 48' ' ' LEU . 48.1 t -133.56 124.05 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.1 m -108.11 112.17 24.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.166 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.6 p -119.24 127.02 52.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.484 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . 4.2 tmm_? -111.26 83.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -86.92 155.86 20.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.4 ttm -102.39 125.62 49.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.566 ' O ' HG22 ' A' ' 69' ' ' THR . 10.6 t-80 -122.89 103.41 8.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.36 31.35 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.01 43.87 32.1 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 66' ' ' HIS . 4.9 t -127.3 154.66 44.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 111.151 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.475 ' CG ' ' O ' ' A' ' 70' ' ' HIS . 1.6 p80 -99.22 122.42 42.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.7 t -149.45 134.75 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 82.5 t -108.32 104.98 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -94.24 140.59 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -122.02 131.89 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -109.84 141.04 43.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.987 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 77' ' ' VAL . 28.2 tptt -108.76 156.37 19.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.41 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 98.2 t -133.36 122.35 44.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 145.38 29.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -95.21 109.86 21.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -129.79 83.68 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.06 -157.19 36.89 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.43 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -2.32 9.96 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 pttm -114.53 170.88 7.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -123.0 109.99 14.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.8 t -86.55 124.79 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.477 HD12 ' CD1' ' A' ' 103' ' ' TYR . 6.1 mt -67.81 145.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -92.82 65.35 4.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.477 HG13 HG22 ' A' ' 86' ' ' ILE . 17.4 m -130.41 -178.56 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.056 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' VAL . 24.5 tp10 -36.42 -60.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -106.7 135.49 19.52 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.576 0.703 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 86.39 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.627 2.218 . . . . 0.0 112.373 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.728 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 50.5 t80 -81.02 109.93 16.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.0 p -81.98 151.65 27.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.447 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 17.5 p -141.23 -175.31 4.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.84 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.9 t -109.33 -29.13 8.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.6 p -163.66 176.21 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 20' ' ' GLU . 37.3 mt -58.66 -34.02 70.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -52.82 -44.63 66.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 94' ' ' CYS . . . -64.0 -50.03 70.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.3 t -45.05 -56.2 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 105' ' ' VAL . 89.6 t -46.83 -42.04 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -69.81 -45.99 66.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.728 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 55.6 t80 -46.74 -45.06 19.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -67.02 -40.95 87.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 101' ' ' VAL . 89.9 t -58.44 -50.96 76.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 t -72.35 -48.38 42.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -43.84 -54.64 5.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 67.5 p -82.19 144.74 30.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -70.39 -67.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -41.92 163.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.63 109.69 19.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.099 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.0 tp -91.51 111.14 22.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.5 t -85.39 123.03 73.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.66 0.743 . . . . 0.0 111.065 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 144.58 54.29 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.722 2.281 . . . . 0.0 112.321 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.582 ' CE2' HD23 ' A' ' 37' ' ' LEU . 1.8 t80 -83.65 114.0 21.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.7 tp -122.86 138.41 54.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.441 HD13 ' N ' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -126.87 117.53 22.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.966 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.441 ' N ' HD13 ' A' ' 117' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 p -63.4 123.71 19.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.923 0.392 . . . . 0.0 110.833 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 t -91.92 -45.38 8.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.53 -114.64 6.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t 55.9 45.1 24.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -76.47 149.11 36.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.05 74.27 0.74 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' LEU . 65.7 mt-10 -61.14 178.59 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.38 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 10' ' ' LEU . 1.8 m -35.13 -34.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 9' ' ' VAL . 12.9 tp 33.5 50.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -110.33 4.55 20.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.14 2.84 32.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.69 -59.28 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -132.21 178.33 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -154.93 128.06 8.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.049 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -94.66 -14.67 24.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -50.95 171.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.812 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.39 48.27 3.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.599 HD23 ' H ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -92.79 -17.97 23.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.563 ' HG2' HG23 ' A' ' 21' ' ' THR . 1.0 OUTLIER -87.82 -38.32 15.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.563 HG23 ' HG2' ' A' ' 20' ' ' GLU . 1.2 p -110.02 152.64 43.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 159.61 52.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.635 2.223 . . . . 0.0 112.325 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.5 p -61.8 -38.57 88.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.0 m -53.88 -24.33 15.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.818 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 3.5 t80 -76.07 150.2 37.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.906 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.36 156.22 39.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -98.38 105.2 17.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -153.36 154.82 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.407 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 1.6 m -54.07 161.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.819 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.6 HH12 HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -71.04 -26.31 63.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.87 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.6 HD12 HH12 ' A' ' 30' ' ' ARG . 11.6 mt -87.56 -20.86 25.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 35' ' ' LEU . 22.7 mt-10 -80.73 -58.68 2.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -36.5 -35.69 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -66.76 -44.29 81.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.653 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -66.79 -40.03 88.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.5 mt -47.36 -29.95 2.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.585 HD13 ' CB ' ' A' ' 63' ' ' ARG . 62.4 mt -65.47 -67.21 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -50.98 -26.29 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.574 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 48.3 mmt-85 -71.73 -50.28 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.817 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 2.8 m-85 -125.08 80.49 64.17 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.69 0.757 . . . . 0.0 110.927 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -47.19 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.632 2.221 . . . . 0.0 112.399 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.49 -37.83 63.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.65 -46.97 83.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 154.49 -178.73 31.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.539 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.468 ' HA ' HD22 ' A' ' 37' ' ' LEU . 8.7 p30 -122.67 -29.52 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.604 ' HB2' HD23 ' A' ' 112' ' ' LEU . 6.7 tp -78.94 126.24 30.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.906 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -151.21 163.47 38.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.837 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.672 ' N ' HD12 ' A' ' 47' ' ' LEU . 6.9 mp -124.83 124.58 42.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.473 ' CD ' ' HA ' ' A' ' 30' ' ' ARG . 41.6 ptt85 -118.35 151.49 49.54 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.646 0.736 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 123.21 9.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.356 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 t -67.65 146.52 53.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.52 -75.08 0.9 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -106.47 128.06 53.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.881 0.372 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.59 -64.21 0.51 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.429 ' HB3' ' CE ' ' A' ' 76' ' ' LYS . . . -163.57 166.7 22.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -86.97 97.35 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.09 -148.74 5.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.459 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 p -141.11 133.52 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 111.093 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.417 ' OG ' ' CG ' ' A' ' 49' ' ' ARG . 4.7 p -88.33 159.45 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.538 HG21 ' CE2' ' A' ' 104' ' ' PHE . 60.3 t -125.06 93.66 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.9 m -82.74 116.9 22.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.7 p -127.65 124.66 38.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.585 ' CB ' HD13 ' A' ' 37' ' ' LEU . 3.8 tmt_? -119.21 83.49 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 65' ' ' MET . 4.9 tp60 -92.63 144.74 25.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.446 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 2.4 ttt -72.88 112.24 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.742 ' O ' HG22 ' A' ' 69' ' ' THR . 3.9 m170 -126.62 145.0 50.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 m120 43.08 34.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 51.59 43.77 53.4 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.428 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 66' ' ' HIS . 14.5 t -140.22 165.73 26.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 111.118 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -95.3 104.85 16.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.701 HG23 HG23 ' A' ' 69' ' ' THR . 62.4 t -129.38 132.83 66.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.544 HG22 ' CG ' ' A' ' 63' ' ' ARG . 24.9 t -119.12 131.61 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -119.1 160.46 22.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -140.59 130.8 24.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -114.45 146.17 40.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' CE ' ' HB3' ' A' ' 55' ' ' ALA . 6.9 tmtm? -105.42 143.32 33.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.41 ' N ' ' HD3' ' A' ' 76' ' ' LYS . 92.3 t -117.72 122.29 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 79' ' ' ARG . 12.0 ttmm -86.56 153.8 21.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.466 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -111.3 108.24 17.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -134.72 104.13 5.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.53 -157.36 53.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -0.41 6.85 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.362 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -126.81 156.24 41.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -117.28 121.44 41.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.0 t -91.55 138.09 20.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.64 ' CD1' ' CD1' ' A' ' 103' ' ' TYR . 25.0 mt -81.96 135.63 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.31 76.26 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.0 m -142.02 178.12 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 88' ' ' VAL . 14.5 mt-10 -35.03 -56.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -110.79 130.48 22.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 88.19 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.659 2.239 . . . . 0.0 112.428 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.665 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 73.8 t80 -81.04 121.53 26.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 90.8 p -77.92 146.18 35.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 24.7 m -137.29 114.83 11.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.06 -36.49 65.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.1 m -155.62 172.11 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 26.0 mt -56.91 -30.45 63.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.58 -43.33 75.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.16 -55.38 25.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.059 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.1 t -38.24 -53.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.663 ' O ' HG23 ' A' ' 105' ' ' VAL . 41.1 t -51.8 -48.66 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -64.12 -54.75 29.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.665 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 8.3 t80 -43.45 -44.99 6.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.538 ' CE2' HG21 ' A' ' 60' ' ' VAL . 11.3 m-85 -70.68 -43.41 69.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 101' ' ' VAL . 37.1 t -45.04 -45.76 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.6 t -90.39 -47.69 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.779 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 108' ' ' THR . 81.9 t60 -48.92 -64.69 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 107' ' ' HIS . 40.9 p -36.06 -64.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -149.67 -178.13 6.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -46.35 -37.95 8.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -165.57 132.09 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.604 HD23 ' HB2' ' A' ' 46' ' ' LEU . 7.4 tp -125.58 160.27 30.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.7 t -113.3 128.63 25.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.676 0.75 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 164.29 35.12 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' LEU . 33.8 t80 -115.98 122.05 44.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.827 HD12 ' H ' ' A' ' 117' ' ' LEU . 16.4 tp -128.63 149.07 50.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.827 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -138.29 107.75 6.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.83 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.861 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -168.4 169.18 10.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.915 0.388 . . . . 0.0 110.83 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -169.75 170.52 7.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.62 -84.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 m 62.81 41.69 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.915 0.388 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 p -159.36 147.75 17.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.55 50.29 4.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -72.35 -4.56 30.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.934 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.9 t -78.53 -25.32 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.5 mt -91.27 103.39 16.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.14 -175.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -56.03 123.89 15.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -150.82 128.77 11.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -153.94 168.74 25.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.73 118.24 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -114.1 21.92 14.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -77.62 47.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.67 71.83 3.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.047 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.6 mt -109.52 -63.18 1.39 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -38.72 -37.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -137.38 148.85 63.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.612 0.72 . . . . 0.0 111.212 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 146.9 61.83 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.312 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.2 m -48.73 -40.29 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.46 ' HA ' HD13 ' A' ' 116' ' ' LEU . 29.8 p -47.48 -43.41 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.545 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 67.7 t80 -50.05 152.97 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.766 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.48 152.39 31.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -90.91 104.94 17.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.544 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 2.9 m -150.87 163.1 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -76.56 -176.94 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -66.09 -43.12 88.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' GLN . 11.1 mt -81.73 -52.3 7.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -36.75 -39.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.544 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . . . -72.21 -45.19 61.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' LEU . 15.9 tt0 -55.74 -37.78 68.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -83.63 -24.17 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 mt -67.85 -20.74 65.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.615 HD21 HD23 ' A' ' 47' ' ' LEU . 62.6 mt -76.08 -67.12 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -54.25 -30.8 51.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -70.85 -38.46 73.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -131.17 70.18 82.3 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.681 0.753 . . . . 0.0 110.915 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -37.37 9.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.238 . . . . 0.0 112.386 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.05 -27.14 68.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -85.59 37.93 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.74 179.98 46.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -132.92 -52.62 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 110.864 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.525 HD21 HG13 ' A' ' 101' ' ' VAL . 9.9 tp -50.07 89.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.766 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -114.19 143.17 45.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 47' ' ' LEU . 6.3 mp -108.88 119.27 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.456 ' HD3' ' HB3' ' A' ' 33' ' ' ALA . 15.0 ptt85 -116.6 136.84 23.25 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.545 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.4 Cg_endo -69.79 125.01 11.63 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m -70.73 -65.28 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . -166.5 -143.37 3.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.514 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' GLY . 8.5 p-10 -35.01 -41.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -48.88 98.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.57 -27.46 16.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 111.068 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.71 29.25 2.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.49 111.62 0.3 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.458 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.2 m -107.21 177.21 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 111.056 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -104.41 143.4 33.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.84 115.13 46.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 29.5 m -97.25 113.29 24.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.9 p -125.68 131.67 52.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -110.46 92.29 3.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -95.65 -175.5 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.6 mtp -126.28 107.58 10.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.577 ' O ' HG22 ' A' ' 69' ' ' THR . 52.1 t60 -122.57 127.98 50.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 t30 67.18 27.37 8.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.24 39.34 97.06 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 66' ' ' HIS . 1.3 t -140.83 160.03 40.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 0.0 111.147 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 70' ' ' HIS . 5.3 p80 -83.17 116.2 22.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.0 m -122.5 147.88 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.4 t -133.69 111.3 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.77 134.4 55.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -114.21 116.69 29.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -84.01 145.9 28.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -112.67 127.99 56.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.5 t -94.21 107.08 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -62.64 160.84 13.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -113.51 111.93 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.28 79.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.15 -150.98 43.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 -0.85 7.59 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.687 2.258 . . . . 0.0 112.295 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -112.35 159.82 18.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.935 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -115.72 111.86 21.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.9 t -90.6 132.95 33.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 87' ' ' ASP . 12.5 mt -83.79 155.14 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.448 ' N ' HG22 ' A' ' 86' ' ' ILE . 5.4 t70 -96.44 71.53 2.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 90' ' ' GLN . 3.4 m -138.23 172.8 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -38.19 -50.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.509 ' O ' HG23 ' A' ' 88' ' ' VAL . 13.7 tt0 -105.18 130.39 23.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.558 0.694 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 85.5 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.374 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.571 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 80.8 t80 -89.67 116.59 27.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.4 p -102.92 166.79 10.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.54 ' SG ' ' CE2' ' A' ' 92' ' ' PHE . 38.1 m -159.06 161.64 36.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.9 p -83.89 -48.53 9.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.542 ' HG ' ' CG ' ' A' ' 98' ' ' ASP . 80.0 p -116.04 165.68 12.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 98' ' ' ASP . 13.5 mt -64.83 -48.95 72.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.542 ' CG ' ' HG ' ' A' ' 96' ' ' SER . 0.6 OUTLIER -37.81 -61.92 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -42.44 -43.68 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.4 t -56.32 -46.25 81.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.525 HG13 HD21 ' A' ' 46' ' ' LEU . 47.4 t -55.97 -41.86 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -65.35 -55.2 19.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.571 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 30.8 t80 -39.56 -65.48 0.38 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 103' ' ' TYR . 10.1 m-85 -35.55 -56.29 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 62.0 t -39.64 -54.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.0 t -70.47 -45.59 65.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.414 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 76.4 t60 -45.87 -56.58 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.456 HG21 ' CD1' ' A' ' 112' ' ' LEU . 66.5 p -54.54 -174.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.29 7.36 9.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.52 169.58 14.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.06 97.69 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.456 ' CD1' HG21 ' A' ' 108' ' ' THR . 66.6 mt -93.17 157.12 16.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 114' ' ' PRO . 95.5 t -129.62 138.9 34.14 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.596 0.712 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 113' ' ' VAL . 54.3 Cg_endo -69.76 147.82 63.73 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.679 2.253 . . . . 0.0 112.394 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 5.5 t80 -101.37 138.44 38.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 24' ' ' CYS . 58.5 tp -147.87 158.4 44.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 117' ' ' LEU . 0.5 OUTLIER -137.69 117.91 13.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 179.86 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.2 p -152.95 134.22 14.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 p -59.66 143.56 50.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.69 43.39 1.81 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 m -153.75 144.44 22.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.897 0.379 . . . . 0.0 110.817 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -83.65 91.61 7.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.81 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.76 77.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -56.71 -12.74 2.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.915 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 9' ' ' VAL . 16.4 m -143.68 118.11 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.13 52.04 2.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.8 -2.03 4.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.43 34.18 5.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -95.66 162.74 13.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 16' ' ' ARG . 28.4 mt-10 -84.16 -25.0 29.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 38.3 26.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.082 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -59.19 -14.49 10.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -100.91 86.7 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -130.36 50.62 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.481 ' O ' HD12 ' A' ' 19' ' ' LEU . 4.0 pp -88.7 24.78 1.91 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.981 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -89.39 -59.33 2.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.509 HG22 HD12 ' A' ' 97' ' ' LEU . 1.1 p -146.22 148.33 34.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.518 0.675 . . . . 0.0 111.213 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.543 ' HG3' HG21 ' A' ' 101' ' ' VAL . 53.9 Cg_endo -69.73 146.03 59.14 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.73 2.287 . . . . 0.0 112.386 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.3 m -46.78 -49.04 20.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.3 p -42.02 -43.95 3.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -49.38 152.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.775 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.42 151.72 31.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -92.38 104.83 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.56 175.04 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.095 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.8 p -86.73 160.54 18.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' NH2' ' CG ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -57.8 -21.28 41.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.0 mt -87.34 -55.99 3.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.566 ' HA ' HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -48.05 -58.31 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.539 ' HB1' HD21 ' A' ' 47' ' ' LEU . . . -34.06 -38.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -67.96 -51.52 46.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.66 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -56.17 -41.47 75.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.797 HD23 ' CZ ' ' A' ' 115' ' ' PHE . 2.5 mp -50.91 -26.57 6.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 45' ' ' ASN . 59.7 mt -74.62 -66.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -54.97 -35.87 64.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.58 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 6.3 mmm-85 -73.76 -51.25 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -119.13 76.59 15.86 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.674 0.75 . . . . 0.0 110.93 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -45.97 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.588 2.192 . . . . 0.0 112.363 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -54.97 -39.49 69.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.2 m -52.01 -43.82 63.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.35 178.49 23.53 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.504 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -120.06 -38.68 2.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.379 . . . . 0.0 110.866 -179.852 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.5 tp -74.67 92.11 2.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.775 HD13 HD11 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -116.02 134.63 54.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.855 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.3 mp -101.87 119.33 38.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 41.8 ptt85 -115.57 152.28 47.01 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.634 0.73 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 148.04 64.5 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.65 2.233 . . . . 0.0 112.414 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.6 p -42.46 -53.94 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.78 -51.15 4.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.431 ' CG ' ' NH2' ' A' ' 30' ' ' ARG . 29.5 p-10 -156.52 177.62 11.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 0.0 110.839 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.74 -59.9 4.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.52 176.02 13.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.825 0.345 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -90.94 94.35 9.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.25 -157.92 9.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.9 t -139.77 138.85 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 111.061 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.6 t -107.64 146.21 32.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -119.1 116.43 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.5 m -97.73 128.71 44.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 79.4 p -135.38 124.73 24.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.622 ' HD3' HG22 ' A' ' 72' ' ' VAL . 13.0 tpt85 -105.77 100.97 10.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -105.97 178.05 4.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.1 tpt -115.34 110.0 18.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.614 ' O ' HG22 ' A' ' 69' ' ' THR . 68.8 t60 -132.48 148.43 52.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.78 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 39.3 41.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 43.06 42.81 5.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 66' ' ' HIS . 11.3 t -140.31 148.14 40.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 111.117 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.43 ' HB3' ' NH2' ' A' ' 63' ' ' ARG . 6.9 p80 -75.97 112.07 12.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.48 139.48 51.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.622 HG22 ' HD3' ' A' ' 63' ' ' ARG . 57.4 t -127.65 120.22 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.432 ' HD2' ' CZ ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -109.51 145.01 36.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' A' ' 74' ' ' HIS . 1.8 p80 -128.04 105.73 8.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.432 ' CZ ' ' HD2' ' A' ' 73' ' ' ARG . 98.3 m-85 -81.13 141.01 34.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -103.14 160.66 14.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 78.2 t -129.95 132.62 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -100.49 151.46 21.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -96.63 97.89 9.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.27 85.24 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.15 -153.16 49.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -3.51 12.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.749 2.299 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.38 166.56 13.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -117.32 138.79 51.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.0 m -109.23 134.57 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.505 ' CD1' ' CD1' ' A' ' 103' ' ' TYR . 52.6 mt -79.89 154.0 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.429 ' N ' HG22 ' A' ' 86' ' ' ILE . 1.2 m-20 -88.4 64.56 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.48 HG13 HG22 ' A' ' 86' ' ' ILE . 30.0 m -131.81 179.54 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' VAL . 4.5 tt0 -34.36 -58.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -114.25 143.06 29.05 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 85.01 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.403 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.575 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 30.3 t80 -66.44 106.38 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.5 p -75.92 143.58 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.421 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 29.1 p -145.9 141.8 28.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 96' ' ' SER . 10.0 t -66.35 -41.9 88.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.43 ' N ' HG23 ' A' ' 95' ' ' THR . 70.7 m -143.13 176.48 9.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.798 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.509 HD12 HG22 ' A' ' 21' ' ' THR . 9.5 mt -61.93 -45.05 95.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 97' ' ' LEU . 1.5 t70 -38.24 -55.61 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.421 ' HB3' ' HB2' ' A' ' 94' ' ' CYS . . . -50.65 -52.94 35.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 99.9 t -41.43 -50.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.611 ' O ' HG23 ' A' ' 105' ' ' VAL . 69.4 t -52.72 -49.75 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -60.64 -43.14 97.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.575 ' CD2' ' CD1' ' A' ' 92' ' ' PHE . 56.3 t80 -52.09 -51.44 57.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -61.94 -55.39 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 101' ' ' VAL . 94.7 t -39.27 -48.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.7 t -76.64 -54.13 7.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -44.29 -62.25 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 110' ' ' LYS . 12.8 t -46.56 148.75 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -67.69 -60.59 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.533 ' O ' HG23 ' A' ' 108' ' ' THR . 0.5 OUTLIER -80.33 157.78 26.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.41 88.49 6.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.163 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.1 mp -68.2 139.78 56.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 18.3 t -94.05 131.18 32.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.634 0.73 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.89 130.66 19.56 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.292 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.797 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 3.3 t80 -80.69 127.44 32.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.9 tp -143.24 144.67 32.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tt -130.48 109.91 11.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -70.67 106.34 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.38 . . . . 0.0 110.775 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -41.24 -57.74 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.53 98.94 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 m -110.94 175.03 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.819 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -114.43 42.27 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.44 98.52 0.34 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.443 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -48.31 -18.99 0.26 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.857 0.361 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -173.64 143.34 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt -134.9 97.25 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.26 3.66 32.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 23.14 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -116.74 130.16 56.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -152.62 155.14 36.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.32 93.05 3.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.055 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -84.72 21.23 1.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 -91.22 59.55 3.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.94 43.1 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' GLU . 5.6 mp -107.39 -52.5 2.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' LEU . 18.5 mt-10 -36.05 -58.81 0.64 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 p -140.75 151.83 64.14 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.568 0.699 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 134.45 27.9 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.729 2.286 . . . . 0.0 112.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.7 m -38.91 -51.18 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.9 p -40.11 -44.47 1.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -45.98 153.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.479 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.29 151.12 30.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.5 104.99 17.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.425 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 3.0 m -152.29 170.79 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.179 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.8 m -81.01 165.3 21.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 4.6 ptp180 -50.87 -34.56 28.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 32' ' ' GLU . 12.9 mt -85.84 -53.81 4.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' LEU . 15.8 mm-40 -37.44 -40.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.608 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -71.29 -48.45 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.076 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -57.15 -52.25 66.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 35' ' ' LEU . 1.9 pp -63.06 -31.57 72.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.62 -32.88 74.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.68 HD13 ' HB2' ' A' ' 63' ' ' ARG . 95.3 mt -72.37 -65.78 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 8.4 pt-20 -40.09 -34.54 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.468 ' NH1' HD13 ' A' ' 35' ' ' LEU . 28.1 mtt85 -73.76 -51.02 17.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -114.08 76.52 3.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.689 0.757 . . . . 0.0 110.974 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -45.47 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.657 2.238 . . . . 0.0 112.337 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -61.67 -46.12 91.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 m -45.74 -55.96 5.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.59 157.53 17.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.437 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.573 ' HA ' HD22 ' A' ' 37' ' ' LEU . 2.8 p-10 -115.31 -39.47 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.797 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.8 97.51 3.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.956 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.608 HD11 ' HB1' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -117.83 148.24 42.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.589 ' HG ' HG22 ' A' ' 60' ' ' VAL . 6.5 mp -114.49 115.92 28.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.429 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 6.5 ptm180 -113.35 145.19 32.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.83 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 130.57 19.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.719 2.28 . . . . 0.0 112.35 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.0 t -124.07 119.36 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.09 -147.03 5.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.71 41.97 14.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.37 -45.66 1.12 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.547 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.86 -42.79 69.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 59.68 44.88 13.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.43 -155.95 7.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.0 t -119.76 145.02 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m -114.19 150.11 34.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.589 HG22 ' HG ' ' A' ' 48' ' ' LEU . 61.4 t -115.69 123.22 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.4 m -112.15 117.99 34.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.184 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.6 p -115.09 142.11 47.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.09 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.68 ' HB2' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -126.54 85.03 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -98.89 140.03 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 8.4 tpt -84.62 107.23 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.528 ' HB3' HG22 ' A' ' 69' ' ' THR . 3.7 t-160 -69.81 -178.88 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' HIS . 6.0 t-20 -33.66 -39.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -177.42 35.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 66' ' ' HIS . 6.1 t -141.32 155.41 45.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 111.167 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -100.43 103.96 15.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.3 t -118.82 133.53 65.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.4 t -119.53 119.89 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -98.15 171.62 8.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -145.1 135.97 24.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -126.6 160.76 29.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -129.51 164.02 24.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.2 t -133.37 144.7 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.191 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -107.86 175.48 5.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.74 93.63 4.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -117.32 85.28 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.23 -155.52 51.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 3.02 3.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.246 . . . . 0.0 112.307 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.7 154.86 43.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -111.52 144.13 41.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 85' ' ' VAL . 27.1 m -119.52 115.5 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.2 mt -55.71 151.48 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.93 59.74 5.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 90' ' ' GLN . 10.7 m -126.79 168.48 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' VAL . 49.9 mm-40 -36.62 -45.9 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.574 ' O ' HG23 ' A' ' 88' ' ' VAL . 65.4 tt0 -113.32 124.67 30.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 86.36 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -66.78 102.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.1 m -88.36 130.71 35.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 28.6 p -137.26 -179.73 5.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.1 t -73.92 -38.56 64.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.4 p -168.13 165.88 13.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 98' ' ' ASP . 15.9 mt -39.57 -42.65 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' LEU . 33.3 t70 -36.41 -49.56 0.72 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.28 -50.15 72.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.065 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.8 t -43.37 -53.24 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.7 t -44.93 -46.05 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -74.2 -43.1 58.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -48.8 -46.06 41.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.987 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -61.37 -52.75 63.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 112' ' ' LEU . 87.8 t -49.05 -61.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.185 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.3 t -58.74 -51.26 70.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -43.96 -58.62 2.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.872 HG21 HD11 ' A' ' 112' ' ' LEU . 81.5 p -65.49 135.75 55.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -51.75 -33.73 36.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -94.86 158.84 15.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.807 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -83.01 98.02 9.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.872 HD11 HG21 ' A' ' 108' ' ' THR . 84.9 mt -69.95 107.04 3.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.408 HG13 ' HD2' ' A' ' 114' ' ' PRO . 97.5 t -76.62 132.12 72.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.562 0.696 . . . . 0.0 111.148 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.408 ' HD2' HG13 ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.73 151.93 69.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -106.7 133.71 50.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 41.5 tp -140.11 147.38 40.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.02 111.31 5.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.868 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -139.4 144.93 38.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.943 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -138.35 168.49 19.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.52 140.24 3.5 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 t -164.81 137.44 4.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.905 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -103.43 173.6 6.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.67 56.12 3.8 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -76.61 -4.35 42.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.1 t -109.95 -31.49 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HG ' ' CG ' ' A' ' 13' ' ' GLU . 11.7 tp -87.74 44.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.77 1.31 50.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.86 35.05 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.405 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 11.6 mm-40 -90.02 132.01 35.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -151.64 -177.08 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.59 163.79 36.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -130.3 21.29 5.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -77.03 55.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.04 48.23 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.85 34.77 2.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -114.34 -44.53 3.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -132.03 150.45 76.13 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.655 0.741 . . . . 0.0 111.086 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.06 15.16 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 t -74.99 -37.25 61.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -57.73 -37.13 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -55.43 146.82 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.707 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.56 153.13 32.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -93.63 104.8 16.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.437 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 4.3 m -150.38 171.75 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 m -95.97 144.31 26.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 27.8 ptt180 -42.41 -42.1 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.827 HD22 ' H ' ' A' ' 31' ' ' LEU . 2.0 mm? -51.34 -57.71 8.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 35' ' ' LEU . 15.3 mm-40 -66.44 -61.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.804 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -33.84 -38.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 32' ' ' GLU . 6.0 tt0 -64.94 -48.51 73.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.695 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -77.38 -19.23 56.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 33' ' ' ALA . 12.0 mt -62.94 -20.08 64.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.564 HD21 HD23 ' A' ' 47' ' ' LEU . 18.1 mt -75.25 -58.47 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -37.75 72.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -60.69 -56.05 25.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -116.3 78.14 7.94 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.664 0.745 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -50.15 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.629 2.219 . . . . 0.0 112.358 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -51.28 -28.57 12.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.4 m -84.34 35.69 0.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.79 -176.07 11.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -128.82 -29.46 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 115' ' ' PHE . 10.9 tp -64.19 98.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.707 HD13 HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -123.55 153.85 40.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.998 179.867 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 47' ' ' LEU . 8.1 mp -115.8 123.63 48.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 30' ' ' ARG . 12.4 ptt85 -122.59 147.5 50.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.561 0.696 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 127.34 14.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.2 p -95.72 169.19 10.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -137.99 -62.88 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -81.9 102.29 10.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.12 -58.74 0.44 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -167.06 172.94 9.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.838 0.351 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -93.5 84.55 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.8 -134.87 1.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.8 p -145.33 143.13 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 111.1 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 m -95.99 155.0 16.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.27 108.79 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.9 m -89.61 112.62 23.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.1 p -122.6 118.77 28.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' CB ' HD13 ' A' ' 37' ' ' LEU . 10.2 ttp85 -108.88 92.17 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -82.64 -176.96 6.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.0 tpt -128.58 105.22 8.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 68' ' ' GLY . 4.0 t-160 -105.97 -173.9 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' HIS . 0.4 OUTLIER -33.32 93.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 66' ' ' HIS . . . 35.37 34.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.561 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.451 ' CG2' ' HB3' ' A' ' 66' ' ' HIS . 11.3 t -139.92 131.99 27.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.81 0.338 . . . . 0.0 111.189 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -96.9 107.67 20.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.88 145.07 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 68.1 t -124.36 96.72 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -96.99 153.72 17.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -128.08 121.67 30.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -108.25 121.57 45.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -93.43 140.2 29.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 85' ' ' VAL . 99.1 t -113.42 115.37 49.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.156 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 85' ' ' VAL . 20.3 ttpt -69.48 156.98 38.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -108.14 128.43 54.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -150.02 105.85 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.01 -157.48 35.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.47 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 -6.97 19.82 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.792 2.328 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.9 pttm -110.42 152.64 26.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -102.04 140.9 35.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 77' ' ' VAL . 69.7 t -116.48 130.31 71.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.537 HG22 HG22 ' A' ' 88' ' ' VAL . 46.5 mt -86.67 142.19 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 4.7 t70 -89.01 66.09 7.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.537 HG22 HG22 ' A' ' 86' ' ' ILE . 4.1 m -132.97 -175.88 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 88' ' ' VAL . 2.9 pt-20 -33.25 -62.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -111.68 138.75 21.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.511 0.672 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 86.57 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.683 2.255 . . . . 0.0 112.285 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 103' ' ' TYR . 45.3 t80 -74.73 112.48 10.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.1 p -98.57 137.58 37.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.56 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 21.5 p -126.65 -175.11 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.0 t -100.94 -14.74 17.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' LEU . 76.8 p -168.91 143.44 3.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' SER . 0.8 OUTLIER -32.89 -49.78 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 97' ' ' LEU . 9.7 t0 -36.22 -64.38 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.56 ' HB3' ' HB2' ' A' ' 94' ' ' CYS . . . -38.94 -52.88 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.089 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.428 HG11 HG21 ' A' ' 77' ' ' VAL . 61.5 t -39.45 -44.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.183 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.02 -36.19 74.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 99' ' ' ALA . 16.3 m-80 -72.81 -39.77 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.483 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 60.1 t80 -44.06 -49.62 8.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 106' ' ' SER . 49.4 m-85 -59.9 -57.77 11.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 104' ' ' PHE . 98.8 t -35.86 -33.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 104' ' ' PHE . 1.7 t -90.29 -52.99 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 108' ' ' THR . 1.1 t-80 -50.11 -52.46 34.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.542 HG21 ' HA ' ' A' ' 111' ' ' ALA . 6.9 t -34.27 131.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 110' ' ' LYS . 20.4 ptmt -43.69 -45.59 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 109' ' ' LYS . 10.2 mmmt -116.85 -69.76 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.542 ' HA ' HG21 ' A' ' 108' ' ' THR . . . -163.34 174.87 11.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 tp -162.35 110.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.5 HG13 ' HD2' ' A' ' 114' ' ' PRO . 91.2 t -77.13 134.41 67.64 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.66 0.743 . . . . 0.0 111.108 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.5 ' HD2' HG13 ' A' ' 113' ' ' VAL . 53.6 Cg_endo -69.76 169.23 19.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.256 . . . . 0.0 112.39 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 46' ' ' LEU . 18.7 t80 -118.99 113.91 21.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.442 HD12 ' H ' ' A' ' 117' ' ' LEU . 37.3 tp -126.21 143.09 51.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.442 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -134.55 106.8 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.98 179.815 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.903 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 m -161.05 150.81 17.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.938 0.399 . . . . 0.0 110.801 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 m -164.01 171.67 14.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.85 111.64 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.51 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 p -162.91 172.15 15.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.895 0.379 . . . . 0.0 110.889 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' GLY . 81.0 p -130.23 103.08 6.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.73 79.43 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.51 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -68.15 -7.73 32.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 9' ' ' VAL . 27.2 m -138.08 111.81 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 tt -137.98 107.38 6.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.07 2.8 12.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -68.68 -12.94 62.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -108.08 127.24 53.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -149.74 171.82 16.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -152.34 151.95 31.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 17' ' ' ARG . 24.9 ptt180 -123.83 -14.85 7.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 16' ' ' ARG . 12.1 ptm180 34.11 53.21 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.03 43.06 2.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.733 HD23 ' H ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -88.67 -37.59 15.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.946 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -127.86 -39.27 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.544 HG22 HD12 ' A' ' 97' ' ' LEU . 1.1 p -123.91 149.13 58.92 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.57 0.7 . . . . 0.0 111.146 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 157.36 60.8 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 m -56.75 -48.56 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.6 p -40.28 -45.22 2.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 6.6 t80 -46.96 148.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.591 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.53 152.15 31.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -90.79 104.82 17.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 m -151.86 166.26 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.0 m -89.42 151.81 21.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -38.74 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.797 HD22 ' H ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -60.31 -46.88 88.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.596 ' OE1' HD21 ' A' ' 35' ' ' LEU . 14.1 mm-40 -68.5 -64.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.705 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -34.06 -33.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' GLU . 38.1 tt0 -73.17 -68.05 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.634 ' C ' HD12 ' A' ' 35' ' ' LEU . 3.2 pp -52.35 -26.69 12.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' ' 33' ' ' ALA . 19.9 mt -58.36 -26.66 63.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.477 HD21 HD23 ' A' ' 47' ' ' LEU . 23.3 mt -72.1 -60.31 2.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 8.5 pt-20 -62.07 -38.43 88.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.517 ' HD2' HD13 ' A' ' 35' ' ' LEU . 15.5 mtp85 -59.48 -54.3 48.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -117.0 81.01 11.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.637 0.732 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 -36.2 11.13 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.339 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -67.79 -54.22 20.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.1 m -39.47 -46.17 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 154.77 -175.9 32.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.449 HD22 ' CD1' ' A' ' 112' ' ' LEU . 3.1 p30 -132.32 -32.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.66 ' HB2' HD23 ' A' ' 112' ' ' LEU . 10.5 tp -78.79 90.77 4.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.591 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -112.16 157.84 20.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 47' ' ' LEU . 5.8 mp -124.49 115.8 21.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.06 140.61 37.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.549 0.69 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.72 132.91 24.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.7 t -67.74 114.39 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.31 -158.65 53.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.71 81.82 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.57 88.12 1.81 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.05 159.2 42.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.56 86.48 4.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 128.32 175.5 14.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.504 HG22 ' N ' ' A' ' 59' ' ' SER . 7.8 p -136.51 158.1 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 111.191 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.504 ' N ' HG22 ' A' ' 58' ' ' VAL . 1.8 m -111.17 156.99 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.451 HG12 HG23 ' A' ' 62' ' ' THR . 21.7 t -116.33 121.84 68.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 m -102.69 106.0 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.451 HG23 HG12 ' A' ' 60' ' ' VAL . 50.0 p -121.94 139.35 53.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.7 ttp85 -131.75 92.37 3.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.8 mp0 -90.68 154.37 19.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.4 tpt -79.93 121.47 25.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.554 ' O ' HG22 ' A' ' 69' ' ' THR . 47.6 t60 -148.33 143.68 27.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.819 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 44.47 41.09 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 43.68 38.45 4.25 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 66' ' ' HIS . 5.5 t -139.74 156.0 47.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.84 0.352 . . . . 0.0 111.135 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -91.95 106.56 18.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.796 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.0 p -111.52 133.82 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.14 119.04 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -110.42 159.65 17.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -130.51 140.13 50.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -129.73 118.25 21.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -92.66 148.23 22.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.1 t -123.5 123.27 67.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.7 150.07 32.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -111.76 104.67 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -144.33 114.68 7.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.39 -165.35 54.34 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.445 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.89 2.02 3.99 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.606 2.204 . . . . 0.0 112.284 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.01 167.04 18.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -126.62 107.84 10.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 85' ' ' VAL . 27.0 m -79.47 115.11 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.486 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 64.8 mt -56.65 153.31 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.427 ' N ' HG22 ' A' ' 86' ' ' ILE . 3.3 t70 -87.7 64.34 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 90' ' ' GLN . 2.1 m -127.84 178.3 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' VAL . 0.5 OUTLIER -34.12 -47.65 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 88' ' ' VAL . 58.3 mt-30 -124.19 140.21 34.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 91.94 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.738 ' CD2' ' CD1' ' A' ' 103' ' ' TYR . 34.4 t80 -74.85 102.57 4.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.1 p -71.24 116.18 11.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.804 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 26.6 p -114.21 131.04 56.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.0 p -59.15 -36.07 74.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 t -153.04 179.07 9.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.544 HD12 HG22 ' A' ' 21' ' ' THR . 11.6 mt -65.12 -45.2 86.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.33 -49.04 9.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -54.3 -38.77 66.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.9 t -52.97 -45.16 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.489 HG13 HD21 ' A' ' 46' ' ' LEU . 66.0 t -57.28 -34.33 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -82.06 -22.83 36.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.738 ' CD1' ' CD2' ' A' ' 92' ' ' PHE . 90.6 t80 -54.3 -51.34 64.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.416 ' O ' HG23 ' A' ' 108' ' ' THR . 42.8 m-85 -73.69 -37.49 65.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 101' ' ' VAL . 4.6 t -42.8 -52.52 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.201 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -58.39 -67.24 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.809 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.444 ' NE2' ' O ' ' A' ' 103' ' ' TYR . 2.8 m-70 -41.44 -68.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 109' ' ' LYS . 72.4 p -36.84 155.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 108' ' ' THR . 15.0 tptt -33.29 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.29 -52.91 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -175.12 159.79 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.056 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.66 HD23 ' HB2' ' A' ' 46' ' ' LEU . 9.8 tp -116.75 115.27 25.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.57 119.09 29.97 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.561 0.696 . . . . 0.0 111.222 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.98 18.59 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.71 2.273 . . . . 0.0 112.306 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -79.17 140.5 37.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.5 tp -147.44 131.9 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.99 112.24 17.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.962 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.863 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 p -170.59 136.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.825 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 t -169.4 166.82 10.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.62 49.28 0.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -173.47 114.49 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -37.99 -44.19 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.62 83.43 0.14 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.436 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -98.21 -4.51 35.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -92.32 -30.79 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.53 107.26 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -37.06 -72.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -163.49 105.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -66.44 169.05 7.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -124.72 153.27 42.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -157.48 165.85 34.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.86 25.08 6.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HE ' HD12 ' A' ' 19' ' ' LEU . 40.6 ttt180 -55.57 96.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.66 44.43 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.428 HD12 ' HE ' ' A' ' 17' ' ' ARG . 72.8 mt -74.4 -61.38 1.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.854 ' HG3' HG23 ' A' ' 21' ' ' THR . 4.7 pt-20 -60.23 -40.76 91.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.854 HG23 ' HG3' ' A' ' 20' ' ' GLU . 1.2 p -123.34 150.7 61.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.573 0.702 . . . . 0.0 111.092 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 146.94 61.27 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.688 2.258 . . . . 0.0 112.317 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.2 m -43.1 -48.01 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.3 m -38.26 -44.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.466 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 51.6 t80 -50.54 154.63 1.27 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.707 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.25 152.93 32.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -94.74 104.97 16.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.507 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 3.0 m -148.67 175.22 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.2 m -82.5 160.34 22.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.476 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 3.7 tmt_? -56.07 -42.37 76.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.82 -45.15 53.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' HD23 ' A' ' 36' ' ' LEU . 15.0 mt-10 -53.59 -60.21 3.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.507 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . . . -41.89 -30.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -73.52 -45.73 51.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.59 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -70.04 -33.34 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 32' ' ' GLU . 4.3 mm? -53.81 -16.61 1.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' A' ' 63' ' ' ARG . 95.8 mt -81.54 -56.38 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.61 -31.7 70.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -73.8 -51.93 14.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -119.54 71.45 13.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 110.997 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -44.84 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -60.14 -26.71 66.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.7 m -65.48 -43.11 91.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.07 167.34 21.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.634 HD22 HD21 ' A' ' 112' ' ' LEU . 13.1 t30 -118.87 -27.95 5.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.804 ' HB2' HD23 ' A' ' 112' ' ' LEU . 6.1 tp -90.33 97.72 11.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.707 HD13 HD11 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -116.81 157.2 25.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.977 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.516 ' HG ' HG22 ' A' ' 60' ' ' VAL . 6.8 mp -120.36 118.54 30.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.476 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 7.4 ptm180 -116.17 148.05 40.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.662 0.744 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.466 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.9 150.61 67.59 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.284 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.7 t -102.71 107.85 18.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.67 -137.21 46.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -125.16 -54.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -108.39 76.77 0.22 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.469 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -137.4 164.2 29.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.75 0.31 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.06 88.31 2.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.827 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.62 147.38 7.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.2 m -102.83 170.44 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -112.44 139.3 48.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.516 HG22 ' HG ' ' A' ' 48' ' ' LEU . 60.4 t -99.57 128.97 50.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 60.8 m -110.52 105.42 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.474 HG23 HG12 ' A' ' 60' ' ' VAL . 29.8 p -119.4 138.13 53.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.417 ' H ' ' CG ' ' A' ' 45' ' ' ASN . 6.7 tmm_? -123.24 95.67 4.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.92 140.81 31.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.2 tpt -73.55 98.37 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -121.32 142.91 49.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 45.34 28.89 0.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 54.87 36.81 60.71 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.422 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.491 HG23 HG23 ' A' ' 71' ' ' VAL . 5.1 t -139.7 135.47 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.925 0.393 . . . . 0.0 111.163 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -62.83 119.41 9.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.826 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.491 HG23 HG23 ' A' ' 69' ' ' THR . 46.4 t -135.68 131.42 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 62.1 t -115.34 115.13 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.9 tpt85 -99.67 134.99 41.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -111.04 129.87 55.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -115.64 126.53 54.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -93.19 131.52 38.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.972 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.6 t -95.58 115.86 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -63.31 179.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.1 tpt85 -142.21 106.68 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -144.11 113.95 7.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 56.8 -159.98 8.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.533 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 2.5 3.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -122.64 169.55 10.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -119.7 173.63 6.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 t -142.18 131.1 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.525 HG22 HG13 ' A' ' 88' ' ' VAL . 56.4 mt -76.25 154.95 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.452 ' N ' HG22 ' A' ' 86' ' ' ILE . 4.1 t70 -89.52 43.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.525 HG13 HG22 ' A' ' 86' ' ' ILE . 18.9 m -111.36 -179.8 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -40.72 -64.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -97.26 133.37 24.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.611 0.719 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 81.02 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -65.49 124.63 22.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.4 p -97.88 145.94 25.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.404 ' SG ' ' CG2' ' A' ' 100' ' ' VAL . 13.1 p -145.71 160.79 41.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.813 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.1 p -80.97 -40.4 24.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -146.86 155.15 42.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.535 HD12 HG22 ' A' ' 21' ' ' THR . 19.4 mt -43.55 -38.61 3.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.89 -59.55 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.22 -49.9 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.404 ' CG2' ' SG ' ' A' ' 94' ' ' CYS . 71.6 t -45.78 -53.78 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 105' ' ' VAL . 73.2 t -44.75 -45.12 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -68.93 -48.75 62.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -38.93 -50.04 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.995 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.439 ' O ' HG22 ' A' ' 108' ' ' THR . 41.0 m-85 -63.77 -43.98 94.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 101' ' ' VAL . 70.2 t -49.23 -34.62 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.6 t -87.36 -56.65 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -43.58 -53.34 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 104' ' ' PHE . 9.6 t -47.12 136.43 8.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 110' ' ' LYS . 4.6 ptmm? -47.85 -43.75 28.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 111' ' ' ALA . 18.4 mtpp -122.95 123.37 40.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 110' ' ' LYS . . . -34.59 113.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.049 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.804 HD23 ' HB2' ' A' ' 46' ' ' LEU . 6.3 tp -91.12 157.57 17.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.427 HG13 ' HD2' ' A' ' 114' ' ' PRO . 95.1 t -106.04 133.02 20.41 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.651 0.739 . . . . 0.0 111.148 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.427 ' HD2' HG13 ' A' ' 113' ' ' VAL . 53.7 Cg_endo -69.77 165.33 31.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.342 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.52 ' CD2' HD21 ' A' ' 26' ' ' LEU . 60.0 t80 -111.11 133.77 53.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.1 tp -148.54 134.36 18.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.91 108.9 12.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 m -114.37 158.65 21.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.398 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 t -94.56 -58.7 2.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.88 145.58 4.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -106.04 156.37 18.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.844 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -86.04 88.46 7.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.14 75.32 0.55 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.558 ' HG3' HG13 ' A' ' 9' ' ' VAL . 17.1 pt-20 -58.87 -10.95 2.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.558 HG13 ' HG3' ' A' ' 8' ' ' GLU . 20.6 m -140.07 113.82 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.7 tt -133.3 51.11 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.87 4.71 14.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.81 19.9 6.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -81.91 166.8 19.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 52.42 25.07 3.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.46 23.7 14.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -81.84 -11.33 59.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 6.5 mpt_? -77.91 102.66 7.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.5 44.05 2.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 20' ' ' GLU . 4.0 pp -100.9 -39.72 7.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.474 ' O ' HD12 ' A' ' 97' ' ' LEU . 38.3 mm-40 -61.5 -47.86 83.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.555 HG22 HD12 ' A' ' 97' ' ' LEU . 1.6 p -143.65 152.33 55.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.594 0.711 . . . . 0.0 111.118 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 155.11 66.75 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.266 . . . . 0.0 112.358 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -54.64 -53.92 48.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.455 ' HA ' HD13 ' A' ' 116' ' ' LEU . 31.9 m -40.01 -41.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -45.48 152.5 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.82 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.18 154.85 36.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.442 ' CD ' ' HG3' ' A' ' 50' ' ' PRO . 27.6 mmtp -99.19 104.74 16.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 3.7 m -148.05 173.55 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.6 m -85.39 148.95 25.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.458 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 10.4 ptp85 -44.61 -46.13 9.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 22.8 mt -71.63 -39.2 70.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.671 ' HA ' HD23 ' A' ' 35' ' ' LEU . 44.6 mt-10 -60.47 -60.33 3.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -34.59 -37.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.45 -46.1 74.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.725 HD13 HH11 ' A' ' 39' ' ' ARG . 0.7 OUTLIER -57.98 -31.45 66.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 115' ' ' PHE . 2.5 mp -72.35 -32.82 66.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' A' ' 63' ' ' ARG . 75.8 mt -56.4 -41.74 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -88.33 -47.25 8.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.725 HH11 HD13 ' A' ' 35' ' ' LEU . 6.5 mtt85 -51.05 -49.08 61.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.58 ' CE2' HD11 ' A' ' 117' ' ' LEU . 8.8 m-85 -109.9 80.95 1.87 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 110.914 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -19.17 36.25 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 43' ' ' CYS . 16.7 pt-20 -83.46 -46.44 12.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 69.3 m -44.43 -56.11 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 149.28 -171.13 29.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -119.35 -41.86 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.72 90.91 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.82 HD13 HD11 ' A' ' 26' ' ' LEU . 1.4 pp -117.73 138.13 52.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mp -97.83 129.97 44.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 8.8 ptm180 -121.92 152.42 59.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.608 0.718 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.442 ' HG3' ' CD ' ' A' ' 27' ' ' LYS . 54.2 Cg_endo -69.74 126.67 13.59 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.6 t -81.28 150.12 28.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . -141.29 -100.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -34.52 -48.82 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.331 . . . . 0.0 110.802 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.37 -66.16 2.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -170.09 176.43 4.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.071 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.57 97.68 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.71 -140.49 4.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.5 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.9 t -138.29 140.32 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 m -111.8 160.51 17.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.9 t -121.75 136.6 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.17 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.0 m -120.06 122.1 40.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.4 p -128.85 142.83 50.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.155 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.527 ' HD3' HG22 ' A' ' 72' ' ' VAL . 8.4 tpp85 -103.8 88.21 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -112.28 129.21 56.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.4 ptm -90.86 136.11 33.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.888 ' O ' HG22 ' A' ' 69' ' ' THR . 73.5 t60 -129.42 159.32 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 41.69 33.02 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.51 41.04 99.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.439 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.888 HG22 ' O ' ' A' ' 66' ' ' HIS . 10.1 t -141.27 150.81 43.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 111.103 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -81.41 109.44 15.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.826 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.474 HG23 HG23 ' A' ' 69' ' ' THR . 67.8 t -139.71 135.49 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.527 HG22 ' HD3' ' A' ' 63' ' ' ARG . 83.9 t -105.99 138.53 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.177 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 12.3 tpt180 -117.83 150.14 39.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.435 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 22.4 p80 -127.77 132.25 49.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -108.91 162.15 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -129.3 153.64 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.4 t -130.0 120.99 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 79' ' ' ARG . 44.0 tttt -87.2 151.41 23.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.462 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 5.0 tmm_? -103.25 114.35 28.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -129.15 92.39 3.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.68 -157.47 39.92 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.522 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -6.05 17.67 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.51 162.38 19.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -99.86 163.02 12.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.6 t -140.68 111.59 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.7 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 73.0 mt -61.37 150.07 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -93.29 52.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.629 HG13 HG22 ' A' ' 86' ' ' ILE . 30.8 m -117.49 -179.35 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' VAL . 48.7 mt-10 -34.17 -59.04 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -110.99 139.04 21.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 85.96 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.586 ' CE2' ' HB2' ' A' ' 103' ' ' TYR . 78.9 t80 -70.82 114.06 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 86.4 p -92.74 141.99 27.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.494 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 29.2 p -143.78 160.72 40.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.0 p -85.36 -23.55 27.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.4 m -156.16 163.99 38.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.555 HD12 HG22 ' A' ' 21' ' ' THR . 13.8 mt -55.74 -46.05 77.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 97' ' ' LEU . 1.6 m-20 -37.15 -50.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.494 ' HB3' ' HB2' ' A' ' 94' ' ' CYS . . . -54.2 -42.59 69.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 97' ' ' LEU . 67.0 t -46.02 -53.77 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.782 ' O ' HG23 ' A' ' 105' ' ' VAL . 78.2 t -49.23 -42.4 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -67.84 -46.31 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.7 ' CD2' ' CD1' ' A' ' 86' ' ' ILE . 69.0 t80 -43.56 -53.58 5.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -63.66 -53.43 51.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 101' ' ' VAL . 89.7 t -40.27 -50.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.6 t -76.16 -44.07 39.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -44.48 -64.06 0.77 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.0 t -61.61 157.54 17.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.169 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 -21.7 23.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -91.15 162.12 14.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.22 81.1 5.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.88 163.63 7.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.3 t -124.44 128.07 25.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.618 0.723 . . . . 0.0 111.139 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 148.19 64.8 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.607 2.205 . . . . 0.0 112.386 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 36' ' ' LEU . 2.7 t80 -92.75 111.96 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 24' ' ' CYS . 57.6 tp -131.17 138.44 49.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.58 HD11 ' CE2' ' A' ' 40' ' ' TYR . 2.3 tt -132.3 105.91 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.529 ' O ' HD23 ' A' ' 117' ' ' LEU . 6.8 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 m -157.87 164.84 36.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.915 0.388 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 t -163.98 147.75 9.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.42 -116.82 0.74 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.527 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m 51.47 44.84 28.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -101.01 40.36 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.71 73.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.442 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -58.36 -14.35 7.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 0.0 110.955 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 m -144.03 119.81 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.406 HD21 ' CD ' ' A' ' 13' ' ' GLU . 19.4 tp -126.67 76.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.69 3.62 29.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.048 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -75.83 -31.36 59.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.406 ' CD ' HD21 ' A' ' 10' ' ' LEU . 25.5 mt-10 -65.75 -54.54 25.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -104.71 146.48 28.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.95 141.1 1.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -88.19 28.43 1.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -86.52 41.73 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.11 54.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.843 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -116.52 4.51 13.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.451 ' N ' HD13 ' A' ' 19' ' ' LEU . 22.0 mt-10 -82.38 -34.19 28.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 p -144.16 152.81 55.4 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.543 0.687 . . . . 0.0 111.104 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 143.66 51.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.614 2.21 . . . . 0.0 112.399 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.8 p -44.38 -52.71 7.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.409 ' SG ' HD13 ' A' ' 48' ' ' LEU . 15.8 p -42.87 -39.22 2.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -46.96 150.07 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.72 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.35 155.74 38.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -101.24 104.77 15.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.495 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 3.9 m -146.69 174.36 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 28' ' ' VAL . 4.9 t -81.12 -176.24 5.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 26.6 ptt180 -69.3 -49.84 52.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 26.6 mt -74.29 -39.08 63.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.01 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -50.86 -63.77 1.02 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.796 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -39.58 -40.87 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -59.51 -70.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.618 ' C ' HD12 ' A' ' 35' ' ' LEU . 1.1 pp -51.33 -35.38 37.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 tp -49.85 -24.73 2.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.53 ' CD2' HD23 ' A' ' 47' ' ' LEU . 56.2 mt -71.66 -64.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -58.64 -30.09 67.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' A' ' 35' ' ' LEU . 17.1 mmt180 -65.49 -51.04 62.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.4 ' CD1' ' HB3' ' A' ' 39' ' ' ARG . 21.6 m-85 -125.84 73.38 70.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.684 0.754 . . . . 0.0 110.932 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -36.37 10.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -63.96 -26.9 68.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.9 m -87.3 35.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.26 178.03 50.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.401 HD22 HD21 ' A' ' 112' ' ' LEU . 0.4 OUTLIER -130.04 -44.06 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.915 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.563 ' HB2' HD23 ' A' ' 112' ' ' LEU . 3.6 tp -58.04 89.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.796 HD11 ' HB1' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -112.33 135.81 52.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.856 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.666 ' HG ' HG22 ' A' ' 60' ' ' VAL . 6.5 mp -97.65 121.39 39.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 7.0 ptm180 -114.27 139.73 24.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.609 0.719 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.595 ' HA ' HG23 ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.76 153.44 68.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.749 2.299 . . . . 0.0 112.294 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.7 t -46.91 -45.01 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.75 -33.16 6.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.431 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -90.07 48.4 1.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.833 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 41.51 83.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -152.86 172.67 16.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -86.59 -49.89 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.87 157.2 2.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.595 HG23 ' HA ' ' A' ' 50' ' ' PRO . 7.4 p -138.79 160.11 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 111.167 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.471 ' N ' HG22 ' A' ' 58' ' ' VAL . 24.6 t -120.6 162.12 20.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.666 HG22 ' HG ' ' A' ' 48' ' ' LEU . 94.3 t -120.55 132.84 69.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.6 m -110.09 114.67 28.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.086 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.1 p -128.39 128.6 44.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.456 ' HB2' HD13 ' A' ' 37' ' ' LEU . 34.5 ttt180 -120.23 107.74 13.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -116.06 153.58 31.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.6 tpt -82.95 106.92 15.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.723 ' O ' HG22 ' A' ' 69' ' ' THR . 72.2 m-70 -123.02 145.41 48.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 m120 41.32 43.13 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.04 41.43 6.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.543 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.723 HG22 ' O ' ' A' ' 66' ' ' HIS . 15.0 t -140.12 164.92 28.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.817 0.341 . . . . 0.0 111.169 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -95.84 118.02 31.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.446 HG23 HG23 ' A' ' 69' ' ' THR . 89.0 t -137.61 134.22 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.439 HG22 ' HG3' ' A' ' 63' ' ' ARG . 94.2 t -118.82 116.11 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.423 ' NH1' ' HA ' ' A' ' 75' ' ' TYR . 2.0 tmt_? -104.61 146.91 28.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -126.21 114.33 18.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.423 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 66.3 m-85 -88.97 134.28 34.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 87' ' ' ASP . 5.6 ttpm? -99.9 151.66 21.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.8 t -129.61 137.11 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 79' ' ' ARG . 34.8 tttp -93.64 152.52 18.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.402 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 0.8 OUTLIER -110.83 102.4 10.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -124.23 96.04 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.57 -152.77 51.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -6.36 18.4 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -110.16 160.78 16.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -118.75 104.27 10.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.938 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.08 108.96 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.586 ' CG2' HG13 ' A' ' 88' ' ' VAL . 54.4 mt -52.02 148.0 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 1.6 t70 -94.79 45.85 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.586 HG13 ' CG2' ' A' ' 86' ' ' ILE . 20.4 m -108.59 176.55 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 88' ' ' VAL . 10.5 tp10 -34.68 -48.81 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -116.28 132.73 23.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.701 0.763 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 87.05 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.702 2.268 . . . . 0.0 112.366 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -76.58 102.51 6.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.2 p -87.02 121.87 30.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 31.1 p -123.93 -177.62 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.8 p -87.02 -43.42 12.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -149.71 178.53 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 98' ' ' ASP . 46.4 mt -57.08 -42.25 80.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' LEU . 43.6 t0 -37.88 -58.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.2 -57.25 7.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.3 t -38.17 -55.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.512 ' O ' HG23 ' A' ' 105' ' ' VAL . 57.4 t -43.85 -48.21 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -66.63 -39.13 88.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -53.18 -50.22 65.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -59.87 -47.08 87.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 101' ' ' VAL . 85.0 t -48.01 -59.09 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.195 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.5 t -61.26 -54.87 38.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -42.96 -54.42 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.844 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 109' ' ' LYS . 25.4 p -60.44 130.19 45.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 108' ' ' THR . 35.1 ttpt -36.75 -58.69 0.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.809 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.59 136.63 44.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.55 104.07 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.563 HD23 ' HB2' ' A' ' 46' ' ' LEU . 6.3 tp -76.12 161.88 28.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.456 HG13 ' HD2' ' A' ' 114' ' ' PRO . 53.7 t -103.31 133.58 20.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.631 0.729 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.456 ' HD2' HG13 ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.85 154.84 66.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.627 2.218 . . . . 0.0 112.294 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.402 ' HB3' ' CB ' ' A' ' 47' ' ' LEU . 2.6 t80 -98.48 115.21 28.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.4 tp -130.18 132.88 46.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 tp -137.02 109.65 7.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.819 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.485 ' HG3' HG23 ' A' ' 21' ' ' THR . 6.1 pt-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.909 0.385 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 20' ' ' GLU . 1.3 p -100.47 152.24 37.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 111.094 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.57 38.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.628 2.219 . . . . 0.0 112.364 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -40.68 -48.93 3.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.6 p -41.14 -41.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.403 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 40.6 t80 -55.24 155.07 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.869 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.43 151.47 30.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.93 104.79 17.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.2 m -152.13 168.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.197 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -95.23 150.87 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 31' ' ' LEU . 14.4 ttt180 -40.36 -63.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' ARG . 8.4 mp -37.22 -36.53 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' GLN . 20.1 mm-40 -84.16 -56.68 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.461 ' O ' HD21 ' A' ' 47' ' ' LEU . . . -39.42 -27.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . 5.2 tm0? -80.14 -66.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.944 HD12 ' N ' ' A' ' 36' ' ' LEU . 2.7 pp -52.56 -46.03 66.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.944 ' N ' HD12 ' A' ' 35' ' ' LEU . 19.6 mt -40.72 -26.69 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.615 HD13 ' HB2' ' A' ' 63' ' ' ARG . 31.4 mt -73.05 -58.31 3.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 3.8 pt-20 -62.68 -30.07 71.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.426 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 11.3 mtp85 -68.81 -52.37 30.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -120.8 78.27 30.56 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.657 0.741 . . . . 0.0 110.91 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -44.34 2.12 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.681 2.254 . . . . 0.0 112.26 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -50.65 -31.01 14.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 60.4 m -86.1 38.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.0 177.21 2.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' O ' ' CD2' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -122.78 -14.03 7.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.882 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.524 HD21 HG13 ' A' ' 101' ' ' VAL . 8.1 tp -79.17 103.86 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.869 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -131.06 159.66 36.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.593 ' N ' HD12 ' A' ' 47' ' ' LEU . 6.5 mp -118.74 131.87 56.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 49' ' ' ARG . 3.3 ppt_? -129.31 143.83 50.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.533 0.682 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.403 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.8 123.45 10.1 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.642 2.228 . . . . 0.0 112.349 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.7 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.835 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.397 -0.281 . . . . 0.0 112.397 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.7 p -112.63 156.59 13.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.796 0.332 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -105.15 161.12 14.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.445 HG12 HG23 ' A' ' 62' ' ' THR . 71.7 t -121.44 108.97 23.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.099 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.643 HG23 ' NE2' ' A' ' 74' ' ' HIS . 4.6 m -85.17 119.23 25.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.445 HG23 HG12 ' A' ' 60' ' ' VAL . 66.5 p -135.01 123.15 22.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.615 ' HB2' HD13 ' A' ' 37' ' ' LEU . 30.1 ttp180 -108.01 93.37 4.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -104.44 156.97 17.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 tpt -67.46 127.29 32.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.808 ' O ' HG22 ' A' ' 69' ' ' THR . 2.0 t60 -136.89 123.9 21.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 43.08 26.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.27 42.41 83.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.808 HG22 ' O ' ' A' ' 66' ' ' HIS . 7.6 t -134.4 160.82 36.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 111.206 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -96.11 103.78 15.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.4 p -145.03 143.11 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.405 HG23 ' HB2' ' A' ' 63' ' ' ARG . 1.9 p -115.02 146.76 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -117.34 143.55 45.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.643 ' NE2' HG23 ' A' ' 61' ' ' THR . 8.3 m-70 -120.84 104.98 10.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.802 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -79.96 160.81 25.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 87' ' ' ASP . 35.7 tptt -117.23 149.12 40.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.961 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.5 t -125.19 119.15 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -77.81 159.75 28.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -121.87 92.38 3.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -112.97 88.42 2.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.07 -154.05 40.56 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 3.37 2.78 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.747 2.298 . . . . 0.0 112.368 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -118.76 166.09 13.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -125.82 103.5 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.8 t -72.57 141.16 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.3 mt -92.86 133.06 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 76' ' ' LYS . 23.1 p-10 -73.41 77.49 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 89' ' ' GLU . 15.3 m -143.66 -176.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 88' ' ' VAL . 2.6 mp0 -36.43 -64.68 0.32 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -108.03 144.03 28.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.612 0.72 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 82.3 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.745 2.296 . . . . 0.0 112.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -71.61 110.86 6.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.8 p -86.04 134.55 33.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.4 p -122.63 -176.39 3.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.6 t -113.4 -18.46 12.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 t -161.07 171.91 17.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.87 -38.47 88.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -48.54 -53.85 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -43.01 -56.68 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.3 t -42.09 -58.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.563 ' O ' HG23 ' A' ' 105' ' ' VAL . 98.3 t -46.54 -40.26 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.194 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -72.08 -58.44 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.525 ' CD1' ' C ' ' A' ' 103' ' ' TYR . 1.5 t80 -41.9 -42.33 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -63.24 -41.55 99.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 101' ' ' VAL . 91.3 t -57.66 -53.57 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.6 t -69.29 -33.96 73.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -56.22 -61.1 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.815 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.7 p -54.64 154.71 4.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -79.87 -2.07 41.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -131.35 142.08 50.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.55 96.27 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.058 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.0 mt -76.63 171.2 15.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 114' ' ' PRO . 93.7 t -129.95 136.69 29.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.725 0.774 . . . . 0.0 111.12 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.57 ' HD2' HG13 ' A' ' 113' ' ' VAL . 54.3 Cg_endo -69.76 162.44 42.05 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 116' ' ' LEU . 5.7 t80 -110.54 140.95 44.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.45 HD12 ' H ' ' A' ' 117' ' ' LEU . 56.6 tp -149.67 155.42 40.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.45 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -150.19 111.44 4.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.928 0.394 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -112.54 152.38 44.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 111.155 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 167.14 25.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.761 2.307 . . . . 0.0 112.366 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 m -67.59 -46.01 73.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 p -50.54 -31.03 14.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -57.93 151.72 17.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.938 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.41 151.77 31.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.41 104.98 17.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 36' ' ' LEU . 4.4 m -150.88 175.24 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 t -80.9 160.11 24.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -49.0 -47.92 43.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.9 mt -70.21 -50.14 43.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 33' ' ' ALA . 40.2 mm-40 -46.17 -63.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.719 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -37.54 -37.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -64.58 0.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.802 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -50.7 -27.38 6.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 33' ' ' ALA . 12.2 mt -58.88 -41.5 87.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.653 HD21 HD23 ' A' ' 47' ' ' LEU . 12.3 mt -58.41 -62.68 1.67 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 9.6 pt-20 -49.12 -42.03 37.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 14.2 mmt180 -58.63 -51.5 69.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -117.61 79.79 12.88 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.643 0.735 . . . . 0.0 110.919 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -15.8 37.31 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.615 2.21 . . . . 0.0 112.375 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -88.72 -25.85 22.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.6 m -60.74 -52.56 64.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.4 -178.11 37.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.26 -42.53 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.635 ' HA ' HG22 ' A' ' 62' ' ' THR . 6.7 tp -77.3 102.86 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.938 HD13 HD11 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -127.38 131.83 50.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 48' ' ' LEU . 5.4 mp -98.93 119.66 38.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -112.35 149.42 41.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.674 0.749 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 146.09 59.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.653 2.235 . . . . 0.0 112.394 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.854 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.0 m -120.21 155.55 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.837 0.351 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.3 m -90.48 146.03 24.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.54 HG12 HG23 ' A' ' 62' ' ' THR . 50.0 t -117.29 112.94 41.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.183 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 64.1 m -97.54 108.57 21.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.635 HG22 ' HA ' ' A' ' 46' ' ' LEU . 44.5 p -125.19 132.48 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.8 ptt85 -137.96 152.16 48.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.89 165.5 27.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.1 tpt -91.05 124.03 34.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.443 ' C ' ' OD1' ' A' ' 67' ' ' ASN . 2.0 t60 -148.82 140.75 23.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.443 ' OD1' ' C ' ' A' ' 66' ' ' HIS . 3.8 p-10 41.79 29.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 55.63 41.4 81.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.452 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.73 HG23 HG23 ' A' ' 71' ' ' VAL . 1.1 t -125.52 163.78 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 111.149 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -102.45 107.03 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.73 HG23 HG23 ' A' ' 69' ' ' THR . 59.1 t -124.21 133.11 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.5 t -129.5 111.37 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -98.59 152.31 19.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -133.22 116.63 16.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -93.51 161.87 14.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -131.09 143.27 50.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.0 t -129.37 122.04 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.695 ' HB2' HG23 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -73.14 168.21 19.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -121.87 100.27 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -116.94 87.72 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.82 -153.21 46.89 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.436 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.67 -3.04 11.14 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.229 . . . . 0.0 112.413 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -109.0 164.73 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.464 ' CE2' ' HG ' ' A' ' 97' ' ' LEU . 36.3 m-85 -120.55 117.27 27.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.695 HG23 ' HB2' ' A' ' 78' ' ' LYS . 30.1 m -101.06 113.55 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.522 HG22 HG13 ' A' ' 88' ' ' VAL . 83.1 mt -62.95 154.7 5.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.183 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.459 ' N ' HG22 ' A' ' 86' ' ' ILE . 18.5 t0 -90.16 41.29 1.04 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.522 HG13 HG22 ' A' ' 86' ' ' ILE . 16.8 m -107.81 -175.97 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 88' ' ' VAL . 20.8 tt0 -36.52 -65.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -104.85 142.97 25.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.61 0.719 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 85.05 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.71 2.274 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -60.64 98.55 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.6 p -88.86 112.36 23.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.411 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . 27.6 p -120.18 -178.77 3.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 75.4 p -79.36 -57.54 3.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.4 m -139.38 177.5 7.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.464 ' HG ' ' CE2' ' A' ' 84' ' ' TYR . 39.2 mt -51.7 -47.8 63.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -36.0 -49.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.952 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 94' ' ' CYS . . . -57.29 -53.28 59.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.2 t -46.33 -49.05 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.153 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 105' ' ' VAL . 82.6 t -53.53 -45.45 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -68.71 -43.82 75.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -49.27 -46.14 45.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 105' ' ' VAL . 30.5 m-85 -62.28 -59.82 4.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 101' ' ' VAL . 90.8 t -36.72 -49.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.9 t -74.73 -49.56 20.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -42.97 -61.39 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.2 t -51.26 146.4 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -74.01 -12.93 60.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -124.92 125.27 43.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.33 100.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.5 mt -80.19 138.3 36.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.26 126.11 49.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 150.03 67.77 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.658 2.239 . . . . 0.0 112.351 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 8.0 t80 -97.11 127.02 42.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.0 tp -135.46 130.51 34.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.9 tp -128.59 114.0 16.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.864 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.961 0.41 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -124.46 149.11 60.56 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.545 0.688 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 179.12 3.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.451 ' C ' HD13 ' A' ' 116' ' ' LEU . 7.1 t -77.61 -33.81 53.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.9 p -59.7 -36.98 77.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.824 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -55.45 154.92 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.987 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.34 152.68 32.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -97.29 104.86 16.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 m -151.9 174.63 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.9 m -90.79 165.06 13.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.445 ' CD ' ' H ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -48.61 -56.12 9.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 mt -53.69 -46.8 70.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -59.13 -58.51 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.497 ' O ' HD21 ' A' ' 47' ' ' LEU . . . -43.59 -38.57 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.422 ' HA ' HD12 ' A' ' 37' ' ' LEU . 3.6 tt0 -75.73 -56.91 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.799 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.38 -26.05 28.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 mt -68.91 -27.37 65.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 34' ' ' GLN . 13.0 mt -70.71 -36.52 73.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -79.53 -28.7 41.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -74.69 -40.6 61.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -130.69 74.52 80.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.607 0.718 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 -36.6 10.26 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.607 2.205 . . . . 0.0 112.296 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -66.38 -45.7 79.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.8 t -45.92 -47.45 16.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.52 178.11 36.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.586 HD21 HD11 ' A' ' 112' ' ' LEU . 2.1 p-10 -124.53 -28.21 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.406 ' HB2' ' CD2' ' A' ' 112' ' ' LEU . 7.6 tp -87.36 99.86 12.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.987 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -122.96 137.74 54.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.1 mp -98.71 119.37 37.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.6 ptt85 -115.19 147.17 37.9 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.66 0.743 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 139.26 39.99 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.77 2.313 . . . . 0.0 112.289 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.1 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.873 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.459 ' HA2' ' CG1' ' A' ' 77' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.435 ' H ' HG12 ' A' ' 77' ' ' VAL . 29.7 m -125.5 162.2 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 0.0 111.074 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t -103.51 124.89 49.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.473 HG21 ' HE2' ' A' ' 104' ' ' PHE . 98.5 t -90.12 109.6 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.7 m -99.99 111.52 23.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.102 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.4 p -114.09 150.61 33.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 ttt-85 -118.12 85.24 2.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -98.15 162.81 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -107.41 127.41 53.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -150.06 153.38 36.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.9 t30 50.72 26.02 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.47 30.05 67.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.7 t -140.56 154.62 46.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.824 0.345 . . . . 0.0 111.131 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 70' ' ' HIS . 26.4 p-80 -76.84 119.64 20.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.5 p -128.66 143.83 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.2 t -133.33 121.79 43.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -124.19 154.28 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -118.07 162.2 18.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -137.25 108.56 6.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 3.3 ttmm -87.01 120.39 28.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 86' ' ' ILE . 9.4 p -90.28 132.95 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.09 167.55 9.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -126.98 87.85 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -118.04 91.33 3.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.5 -156.32 46.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 0.93 4.96 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.75 149.0 48.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -102.68 157.95 16.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.645 ' O ' HG12 ' A' ' 85' ' ' VAL . 7.0 t -128.71 91.26 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.833 HD11 HG13 ' A' ' 100' ' ' VAL . 2.8 mt -42.27 152.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.459 ' CG ' ' O ' ' A' ' 76' ' ' LYS . 41.8 p-10 -99.18 76.26 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 89' ' ' GLU . 5.9 m -136.66 -177.35 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' VAL . 4.3 tp10 -34.44 -59.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -111.58 143.1 27.87 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.532 0.682 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 88.96 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.365 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 103' ' ' TYR . 68.8 t80 -82.02 118.39 22.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 99.4 p -100.1 159.99 14.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.476 ' SG ' ' CE2' ' A' ' 92' ' ' PHE . 1.8 m -164.76 147.97 8.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.8 p -72.9 -47.11 48.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.8 m -124.38 161.55 25.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 100' ' ' VAL . 12.2 mt -60.99 -44.55 97.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -37.29 -49.45 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.54 96.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.833 HG13 HD11 ' A' ' 86' ' ' ILE . 69.5 t -52.09 -42.16 34.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.18 -43.43 93.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -60.99 -44.26 97.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.513 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 21.1 t80 -42.24 -52.27 4.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.473 ' HE2' HG21 ' A' ' 60' ' ' VAL . 34.9 m-85 -59.85 -46.8 88.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 84.8 t -43.58 -47.8 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.4 t -78.46 -45.66 21.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -52.06 -67.27 0.27 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.582 HG21 HD22 ' A' ' 112' ' ' LEU . 65.9 p -41.41 124.52 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.202 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 109' ' ' LYS . 2.2 tmtm? -56.32 -47.83 77.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.5 137.88 33.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -43.99 120.16 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.586 HD11 HD21 ' A' ' 45' ' ' ASN . 5.1 tp -106.2 137.41 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.4 HG13 ' HD2' ' A' ' 114' ' ' PRO . 76.9 t -107.48 132.22 21.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.646 0.736 . . . . 0.0 111.127 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.4 ' HD2' HG13 ' A' ' 113' ' ' VAL . 54.4 Cg_endo -69.69 161.89 44.18 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.764 2.309 . . . . 0.0 112.377 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 6.6 t80 -110.3 124.75 52.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.451 HD13 ' C ' ' A' ' 23' ' ' SER . 24.9 tp -138.19 131.76 30.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.588 HD23 ' O ' ' A' ' 118' ' ' ASP . 4.9 tt -135.02 106.18 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.588 ' O ' HD23 ' A' ' 117' ' ' LEU . 2.4 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -101.84 150.28 37.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 111.151 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 160.46 49.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.632 2.221 . . . . 0.0 112.347 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.5 m -67.37 -33.28 74.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.7 p -64.57 -20.23 66.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 24.8 t80 -73.7 153.71 39.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.681 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.41 153.17 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.941 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -95.33 105.07 16.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.77 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 2.8 m -151.3 158.4 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -68.47 -179.92 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -66.08 -32.78 74.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 mt -89.46 -50.82 5.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -44.4 -32.19 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.77 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . . . -77.43 -50.47 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -52.54 -47.05 66.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.726 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -66.13 -37.0 84.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.94 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 35' ' ' LEU . 10.4 mt -55.57 -20.01 11.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.969 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.548 HD21 HD23 ' A' ' 47' ' ' LEU . 62.9 mt -80.41 -65.42 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -51.2 -27.45 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -74.33 -44.77 51.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -126.33 80.48 68.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.722 0.773 . . . . 0.0 110.947 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -25.83 28.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -77.62 -36.25 51.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.8 m -54.07 -38.9 65.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.03 172.02 16.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.491 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.543 HD21 HD11 ' A' ' 112' ' ' LEU . 5.9 p-10 -115.0 -36.95 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 0.0 110.904 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.03 108.17 11.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.681 HD13 HD11 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -133.08 132.08 41.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.7 mp -98.1 114.09 26.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -112.71 146.69 35.55 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.594 0.711 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 129.6 17.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.351 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.833 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.44 HG22 ' N ' ' A' ' 59' ' ' SER . 5.1 p -125.47 153.92 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 111.128 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.44 ' N ' HG22 ' A' ' 58' ' ' VAL . 48.0 t -124.19 147.69 47.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.43 129.87 59.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.4 m -117.99 110.32 17.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.8 p -114.53 136.92 52.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.174 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -142.71 111.86 6.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.417 ' OE1' ' C ' ' A' ' 64' ' ' GLN . 1.0 OUTLIER -141.24 132.34 26.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.0 ttm -41.98 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.619 ' O ' HG22 ' A' ' 69' ' ' THR . 3.8 t-160 -122.37 126.73 48.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.783 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 62.91 26.8 15.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.37 30.51 77.78 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.477 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 66' ' ' HIS . 12.4 t -141.37 163.65 32.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 0.0 111.143 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.422 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 47.9 p-80 -92.38 101.31 13.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.3 m -107.3 136.43 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.9 t -134.18 106.68 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -109.33 176.97 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -145.1 134.2 22.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -109.22 138.28 45.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -93.54 164.67 13.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.4 t -133.1 119.5 36.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -78.65 144.84 35.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -106.14 98.35 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -123.38 74.69 1.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 82' ' ' PRO . . . 78.1 -148.54 33.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 81' ' ' GLY . 53.6 Cg_endo -69.74 -11.22 30.4 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.736 2.291 . . . . 0.0 112.355 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -99.99 152.25 20.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -117.8 97.03 5.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 91' ' ' PRO . 43.3 t -73.93 127.36 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.643 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 43.8 mt -73.13 158.92 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.498 ' N ' HG22 ' A' ' 86' ' ' ILE . 4.1 t70 -87.34 42.91 1.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 90' ' ' GLN . 20.6 m -103.16 170.45 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' VAL . 23.1 mt-10 -38.47 -47.25 1.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.706 ' O ' HG23 ' A' ' 88' ' ' VAL . 24.0 mt-30 -113.13 140.9 24.79 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.661 0.743 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.452 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 54.1 Cg_endo -69.67 88.33 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.268 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -79.31 112.03 16.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.2 t -86.65 150.07 24.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.558 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 15.4 p -144.65 163.84 32.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.5 p -73.09 -40.54 64.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.8 m -158.09 175.14 14.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 98' ' ' ASP . 21.2 mt -49.53 -46.07 48.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 97' ' ' LEU . 17.1 t70 -36.5 -59.1 0.68 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 94' ' ' CYS . . . -47.84 -55.72 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 75.2 t -39.48 -43.41 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 105' ' ' VAL . 91.4 t -62.0 -37.86 79.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 99' ' ' ALA . 72.7 m-80 -76.72 -50.56 13.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.643 ' CD2' ' CD1' ' A' ' 86' ' ' ILE . 40.2 t80 -39.95 -54.42 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.504 ' O ' HG22 ' A' ' 108' ' ' THR . 42.0 m-85 -58.5 -57.1 14.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 101' ' ' VAL . 95.6 t -38.29 -56.26 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t -67.28 -48.82 66.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -41.97 -64.17 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 104' ' ' PHE . 3.3 t -59.74 139.8 56.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.43 ' HE2' ' C ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -49.95 -70.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -62.71 150.21 41.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.971 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.24 96.44 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.543 HD11 HD21 ' A' ' 45' ' ' ASN . 9.4 tp -63.5 155.07 30.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 44.1 t -125.31 128.01 24.84 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.693 0.759 . . . . 0.0 111.129 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 158.5 56.82 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.647 2.232 . . . . 0.0 112.348 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 3.2 t80 -106.41 129.05 54.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.436 HD12 ' H ' ' A' ' 117' ' ' LEU . 57.7 tp -136.14 151.32 49.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.436 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -138.53 106.33 5.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.857 0.36 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.556 HG22 HD12 ' A' ' 97' ' ' LEU . 2.3 p -88.36 152.0 49.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 111.183 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 144.98 55.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.314 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.0 m -46.71 -50.26 18.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 p -42.98 -30.09 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -58.89 151.9 20.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.798 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.677 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.38 152.43 32.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.943 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -97.28 104.6 16.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.2 m -150.02 174.3 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 m -81.59 170.49 15.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.927 ' HG3' HD12 ' A' ' 31' ' ' LEU . 5.8 ptp180 -61.24 -33.57 73.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.927 HD12 ' HG3' ' A' ' 30' ' ' ARG . 5.0 mp -83.69 -44.99 13.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.5 -43.74 62.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.437 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -60.37 -35.31 75.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.427 ' OE1' ' NH2' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -66.49 -55.3 16.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.65 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -62.82 -36.52 83.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.962 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 36' ' ' LEU . 9.7 mt -47.17 -26.05 1.05 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.428 HD13 ' CB ' ' A' ' 63' ' ' ARG . 70.8 mt -70.21 -59.16 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 9.5 pt-20 -56.56 -37.77 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.45 ' HD2' HD11 ' A' ' 35' ' ' LEU . 52.4 mtt-85 -66.67 -48.89 67.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 115' ' ' PHE . 11.9 m-85 -120.7 73.08 22.75 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.727 . . . . 0.0 110.859 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -40.17 5.71 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 43' ' ' CYS . 34.6 mt-10 -65.75 -56.93 9.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 42' ' ' GLU . 56.7 m -34.28 -52.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.23 -175.72 44.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.426 ' CG ' ' H ' ' A' ' 63' ' ' ARG . 8.4 t30 -131.5 -40.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.525 HD12 ' CG2' ' A' ' 62' ' ' THR . 6.4 tp -76.95 93.44 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.727 HD12 ' N ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -109.43 165.26 11.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.727 ' N ' HD12 ' A' ' 47' ' ' LEU . 5.4 mp -129.79 112.19 13.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.405 ' HD2' ' C ' ' A' ' 49' ' ' ARG . 5.0 ppt_? -106.02 144.32 28.7 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.64 0.733 . . . . 0.0 110.857 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 139.21 39.72 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.718 2.279 . . . . 0.0 112.309 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.4 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.847 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.0 t -124.37 145.71 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -102.4 147.29 26.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.7 t -114.2 111.51 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.181 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.2 m -102.0 129.07 48.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.525 ' CG2' HD12 ' A' ' 46' ' ' LEU . 70.2 p -141.41 134.83 29.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.557 ' HB2' HG22 ' A' ' 72' ' ' VAL . 14.6 ttm180 -126.09 96.57 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.414 ' NE2' HD11 ' A' ' 112' ' ' LEU . 34.7 mt-30 -97.52 151.2 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.975 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.8 tpt -75.96 107.27 8.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -136.11 150.2 49.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 46.69 32.61 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.86 31.59 10.39 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.543 HG23 HG23 ' A' ' 71' ' ' VAL . 14.9 t -140.63 135.58 31.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.741 0.305 . . . . 0.0 111.129 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -65.71 115.31 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.543 HG23 HG23 ' A' ' 69' ' ' THR . 86.0 t -131.72 134.15 60.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.557 HG22 ' HB2' ' A' ' 63' ' ' ARG . 89.7 t -114.08 131.22 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -110.92 172.65 6.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -144.66 148.73 34.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -138.15 152.46 48.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -114.11 147.73 38.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.8 t -129.14 104.81 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -69.14 154.38 42.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 79' ' ' ARG . 3.1 tmm_? -113.55 108.62 17.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -125.73 100.24 6.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.94 -157.32 52.39 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -1.87 9.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.607 2.204 . . . . 0.0 112.368 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -122.43 166.15 15.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.4 157.98 22.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.6 t -133.14 121.38 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.061 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.508 HG22 HG13 ' A' ' 88' ' ' VAL . 56.8 mt -70.55 154.48 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.046 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.439 ' N ' HG22 ' A' ' 86' ' ' ILE . 5.8 t0 -91.14 45.6 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.508 HG13 HG22 ' A' ' 86' ' ' ILE . 11.5 m -104.94 -176.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.9 -50.27 3.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.479 ' O ' HG23 ' A' ' 88' ' ' VAL . 85.9 mt-30 -119.99 141.88 32.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 93.02 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.743 2.295 . . . . 0.0 112.347 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -77.45 112.69 14.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.0 p -87.21 132.26 33.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.799 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 21.2 p -129.37 176.62 7.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 96' ' ' SER . 7.7 t -104.07 -42.3 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.423 ' N ' HG23 ' A' ' 95' ' ' THR . 74.8 m -132.37 170.41 15.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.556 HD12 HG22 ' A' ' 21' ' ' THR . 13.1 mt -68.12 -44.29 76.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -37.09 -60.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.795 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -45.33 -58.9 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 99.4 t -38.43 -57.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 105' ' ' VAL . 58.6 t -45.06 -42.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -74.81 -38.42 62.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.424 ' CD1' ' CD1' ' A' ' 86' ' ' ILE . 33.2 t80 -52.98 -69.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 105' ' ' VAL . 13.3 m-85 -38.39 -58.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 101' ' ' VAL . 87.4 t -35.61 -46.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.08 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.7 t -81.82 -39.39 24.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -41.59 -70.09 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.793 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.614 HG23 ' N ' ' A' ' 109' ' ' LYS . 9.0 t -88.7 -52.23 5.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.614 ' N ' HG23 ' A' ' 108' ' ' THR . 21.6 mmmt -93.56 -175.29 3.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.76 -34.64 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -154.13 106.34 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.533 HD11 ' HG3' ' A' ' 109' ' ' LYS . 10.3 mt -122.08 -176.89 3.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 89.3 t -127.97 125.12 23.46 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 111.08 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.4 65.07 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 40' ' ' TYR . 9.7 t80 -92.92 112.93 25.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.6 tp -114.1 143.05 45.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 tp -140.71 118.24 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.422 ' OD1' ' C ' ' A' ' 118' ' ' ASP . 2.5 p30 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.994 0.426 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -134.37 147.4 63.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.555 0.693 . . . . 0.0 111.202 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.37 66.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.0 m -48.8 -54.08 16.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.1 p -38.58 -43.58 0.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -44.5 156.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.032 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.48 151.57 30.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -97.46 104.61 16.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.497 HG11 HD11 ' A' ' 36' ' ' LEU . 5.0 m -151.66 168.58 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 m -75.36 -176.72 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.832 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.5 ttt-85 -62.5 -56.01 22.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 34' ' ' GLN . 13.0 mt -71.86 -47.63 51.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -40.48 -42.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.464 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . . . -66.42 -38.28 87.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' LEU . 10.4 tt0 -65.18 -54.11 34.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.64 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -59.45 -33.77 71.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.497 HD11 HG11 ' A' ' 28' ' ' VAL . 12.5 mt -56.17 -21.03 20.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.792 HD13 ' HB2' ' A' ' 63' ' ' ARG . 82.8 mt -76.48 -63.43 1.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -57.09 -24.05 51.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -78.05 -49.85 13.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -119.62 78.98 21.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.666 0.746 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -46.43 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.73 2.287 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' CYS . 12.4 mm-40 -52.9 -58.88 5.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLU . 77.5 m -37.46 -48.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.77 174.65 22.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.486 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.428 HD21 HD23 ' A' ' 112' ' ' LEU . 0.1 OUTLIER -115.89 -35.9 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.0 tp -72.12 93.75 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.032 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -120.35 140.71 50.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 47' ' ' LEU . 6.1 mp -103.43 105.2 15.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.413 ' HD2' ' C ' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -104.31 143.62 27.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.636 0.731 . . . . 0.0 110.892 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 136.58 33.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.272 . . . . 0.0 112.303 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.813 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.2 t -145.05 143.49 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -129.96 147.26 51.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.799 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.1 t -107.45 112.47 40.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.5 m -96.9 114.05 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.3 p -120.75 123.12 41.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.792 ' HB2' HD13 ' A' ' 37' ' ' LEU . 11.3 tpt85 -84.84 86.23 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -105.39 167.56 9.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.6 tpt -102.17 124.75 48.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.515 ' O ' HG22 ' A' ' 69' ' ' THR . 4.1 t-80 -134.7 143.9 47.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 42.59 33.55 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.87 39.83 40.79 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.467 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 66' ' ' HIS . 6.1 t -138.12 148.81 45.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 111.12 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' A' ' 70' ' ' HIS . 55.1 p-80 -72.82 107.6 5.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.6 p -148.74 139.22 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.43 HG22 ' HD2' ' A' ' 63' ' ' ARG . 96.2 t -108.43 142.62 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -111.08 161.06 16.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -145.27 110.73 5.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.78 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -83.98 124.7 31.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.995 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -82.15 144.52 30.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.2 t -118.17 106.48 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 79' ' ' ARG . 5.6 tmtm? -69.04 145.67 53.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.445 ' N ' ' HD3' ' A' ' 78' ' ' LYS . 0.7 OUTLIER -104.97 105.62 15.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.453 ' O ' ' CD ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -130.64 93.43 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.65 -156.06 53.34 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 3.07 3.01 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.698 2.266 . . . . 0.0 112.275 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 94' ' ' CYS . 0.0 OUTLIER -123.45 171.62 9.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.89 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -126.29 161.04 28.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 85.6 t -130.19 127.15 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.086 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.571 HG22 HG13 ' A' ' 88' ' ' VAL . 69.8 mt -75.24 148.25 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -82.81 46.42 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.571 HG13 HG22 ' A' ' 86' ' ' ILE . 12.4 m -111.14 174.05 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -41.63 -49.57 4.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.553 ' O ' HG23 ' A' ' 88' ' ' VAL . 55.3 tt0 -109.55 129.81 23.5 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 86.8 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.409 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 30.7 t80 -72.65 115.83 12.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.5 p -89.71 131.36 35.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.831 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 83' ' ' LYS . 22.8 p -124.64 174.63 7.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 t -98.17 -33.35 11.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.4 t -148.22 164.12 34.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 98' ' ' ASP . 45.7 mt -53.08 -47.21 68.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 97' ' ' LEU . 3.1 t0 -37.76 -50.07 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -51.36 -51.59 53.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.8 t -43.35 -50.11 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 92.5 t -54.28 -50.79 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -60.82 -55.57 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.409 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 40.6 t80 -40.15 -54.91 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' A' ' 105' ' ' VAL . 22.1 m-85 -55.43 -63.89 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 104' ' ' PHE . 55.9 t -35.4 -59.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.4 t -60.03 -56.04 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -41.96 -61.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.9 t -61.67 139.39 58.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.21 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -64.96 -58.17 6.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -62.95 154.02 31.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.22 96.37 9.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.058 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.428 HD23 HD21 ' A' ' 45' ' ' ASN . 5.7 mp -73.53 166.23 23.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 70.7 t -119.32 130.94 24.57 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.584 0.707 . . . . 0.0 111.094 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 139.88 41.36 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -87.39 125.64 34.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.1 tp -134.88 131.71 37.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 tp -131.12 110.46 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.534 ' O ' HD12 ' A' ' 97' ' ' LEU . 14.6 pt-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.908 0.385 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.418 HG22 HD12 ' A' ' 97' ' ' LEU . 1.5 p -142.34 150.25 54.29 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.567 0.699 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 154.39 68.07 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.679 2.252 . . . . 0.0 112.366 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 p -58.15 -37.65 75.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.3 m -51.67 -34.83 39.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CD2' ' O ' ' A' ' 48' ' ' LEU . 8.0 t80 -61.62 150.93 34.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.623 HD11 HD12 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.47 153.72 34.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.974 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -93.29 104.91 17.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 m -147.66 174.52 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.8 m -86.92 167.82 13.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 -50.67 -49.79 56.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 mt -67.37 -52.21 42.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -42.09 -51.24 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.782 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -57.49 -61.05 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -51.45 -60.78 2.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.827 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -55.55 -33.46 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.527 ' N ' HD12 ' A' ' 35' ' ' LEU . 10.2 mt -63.77 -32.56 74.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.898 HD21 HD22 ' A' ' 47' ' ' LEU . 74.2 mt -56.72 -59.63 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -64.23 -33.84 76.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -62.2 -56.39 19.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -110.01 81.25 2.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.683 0.754 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -42.95 2.98 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.744 2.296 . . . . 0.0 112.289 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.86 -46.39 90.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.6 m -50.19 -50.29 49.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.53 -178.56 28.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.449 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.65 -42.58 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.583 ' HB2' HD23 ' A' ' 112' ' ' LEU . 5.6 tp -70.2 96.13 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.898 HD22 HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -117.11 176.71 5.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 5.8 mp -139.51 113.94 9.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -106.39 142.05 24.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.719 . . . . 0.0 110.825 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.77 144.21 53.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.298 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.9 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.843 -179.855 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.456 HG22 ' N ' ' A' ' 59' ' ' SER . 10.6 p -122.91 156.14 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.456 ' N ' HG22 ' A' ' 58' ' ' VAL . 2.2 m -120.04 146.93 45.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.6 t -100.34 118.52 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.201 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.3 m -109.33 121.3 44.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.574 HG22 ' HA ' ' A' ' 46' ' ' LEU . 39.0 p -138.23 141.32 39.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.583 ' HG2' HD13 ' A' ' 37' ' ' LEU . 11.4 ptt180 -124.71 144.87 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -142.06 177.89 7.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 ttm -108.22 103.89 13.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -135.74 128.27 30.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 73.38 27.04 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 58.98 30.41 66.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.432 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -141.14 159.02 43.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.363 . . . . 0.0 111.111 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.432 ' H ' ' CD2' ' A' ' 70' ' ' HIS . 10.5 p80 -83.29 111.07 18.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.2 m -111.01 135.04 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.3 t -132.79 117.42 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -108.9 139.7 43.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -113.07 118.87 35.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -105.9 159.49 15.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -119.21 166.72 12.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.0 t -131.38 98.52 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -69.19 160.07 31.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -111.95 104.43 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.948 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -118.16 84.95 2.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.44 -156.0 33.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.444 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -5.45 16.24 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.394 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? -122.2 169.92 10.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -117.92 144.2 45.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.559 ' O ' HG23 ' A' ' 85' ' ' VAL . 33.0 m -121.51 117.41 52.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 87' ' ' ASP . 76.3 mt -47.92 156.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.481 ' N ' HG22 ' A' ' 86' ' ' ILE . 9.9 t0 -91.69 46.38 1.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.468 HG13 HG22 ' A' ' 86' ' ' ILE . 15.4 m -111.64 -175.17 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -49.34 -51.76 32.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.35 130.61 22.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 86.38 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.704 2.27 . . . . 0.0 112.324 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 4.1 t80 -74.43 102.09 4.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.7 p -84.6 152.98 23.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.42 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . 26.6 p -151.02 -175.79 5.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 96' ' ' SER . 9.8 t -83.95 -43.81 14.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.442 ' N ' HG23 ' A' ' 95' ' ' THR . 3.5 m -152.18 170.18 20.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.795 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 20' ' ' GLU . 19.4 mt -46.68 -43.96 18.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -37.39 -58.3 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.42 ' CB ' ' HB2' ' A' ' 94' ' ' CYS . . . -46.46 -55.27 7.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 96.9 t -40.15 -55.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.637 ' O ' HG23 ' A' ' 105' ' ' VAL . 96.0 t -47.19 -49.95 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -60.22 -44.62 95.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -51.64 -59.74 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -49.74 -42.35 45.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 101' ' ' VAL . 90.4 t -54.1 -47.69 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 t -71.85 -51.93 19.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -45.22 -49.7 12.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.402 HG21 HD22 ' A' ' 112' ' ' LEU . 23.5 p -62.28 122.34 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -55.64 -27.61 50.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -110.95 125.02 53.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -43.35 99.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.583 HD23 ' HB2' ' A' ' 46' ' ' LEU . 8.2 tp -81.9 120.1 24.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.3 t -81.46 128.96 67.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.656 0.741 . . . . 0.0 111.131 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 148.9 66.22 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -96.81 110.65 23.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.5 tp -128.61 130.23 47.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.9 tt -120.51 106.29 11.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.6 t0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.876 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.91 0.386 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 p -115.64 152.19 46.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 0.0 111.09 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' SER . 54.1 Cg_endo -69.75 132.88 24.26 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.631 2.22 . . . . 0.0 112.325 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' PRO . 63.7 p -36.35 -54.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -37.57 -45.21 0.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -50.47 158.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.769 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.32 156.45 39.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.39 104.43 14.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.447 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 4.0 m -149.11 175.34 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.4 m -83.15 156.88 23.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 31' ' ' LEU . 2.0 tmm_? -43.27 -46.9 6.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' N ' ' HD2' ' A' ' 30' ' ' ARG . 14.6 mt -73.66 -52.16 14.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -39.53 -57.31 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.708 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -49.81 -49.69 47.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -51.67 -69.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.617 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -51.04 -39.49 56.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 tp -40.14 -33.32 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.508 HD21 HD23 ' A' ' 47' ' ' LEU . 78.6 mt -60.86 -62.47 1.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 3.7 pt-20 -51.45 -28.19 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.522 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 11.1 mmt180 -75.12 -47.93 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 4.9 m-85 -128.57 77.65 77.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.741 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 -48.86 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.596 2.198 . . . . 0.0 112.371 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -46.98 -53.02 13.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.8 t -40.75 -36.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 135.15 164.99 10.63 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.606 HD21 HD22 ' A' ' 112' ' ' LEU . 0.7 OUTLIER -109.93 17.38 21.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 110.799 -179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.2 tp -117.68 83.24 1.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.769 HD13 HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -113.58 146.56 39.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.948 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.731 ' HG ' HG22 ' A' ' 60' ' ' VAL . 6.3 mp -108.71 113.29 26.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.6 ptt85 -107.53 140.89 21.97 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.691 0.758 . . . . 0.0 110.801 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 126.16 12.94 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.7 2.266 . . . . 0.0 112.291 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.785 -179.766 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.6 t -129.79 148.18 33.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -122.97 127.68 49.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.731 HG22 ' HG ' ' A' ' 48' ' ' LEU . 68.0 t -92.77 126.93 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.8 m -107.43 118.1 35.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.9 p -124.7 128.88 49.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -112.1 86.56 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -93.36 173.8 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.1 ttt -112.26 125.52 54.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.714 ' O ' HG22 ' A' ' 69' ' ' THR . 16.5 t60 -145.41 126.55 14.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.409 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 12.8 t-20 71.3 36.71 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.15 37.51 30.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.714 HG22 ' O ' ' A' ' 66' ' ' HIS . 14.0 t -141.25 164.33 30.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 111.097 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -94.15 126.13 39.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.3 p -143.53 139.78 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 67.9 t -108.82 115.75 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -100.43 140.4 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -115.18 143.89 44.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -126.69 138.63 53.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 77' ' ' VAL . 4.4 tppp? -110.14 154.69 22.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.403 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 84.2 t -133.31 112.61 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -71.42 161.77 30.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -115.42 113.42 23.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -133.73 81.97 1.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.12 -160.64 29.75 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.559 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 2.96 3.1 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.734 2.289 . . . . 0.0 112.289 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.44 162.29 20.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -118.4 122.31 42.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.6 m -102.21 140.38 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.448 HG22 HG13 ' A' ' 88' ' ' VAL . 39.8 mt -81.49 149.19 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -87.34 53.09 2.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.448 HG13 HG22 ' A' ' 86' ' ' ILE . 7.1 m -114.68 178.04 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' VAL . 36.0 mt-10 -34.44 -49.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.443 ' O ' HG23 ' A' ' 88' ' ' VAL . 67.5 mt-30 -121.93 136.48 26.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.61 0.719 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 90.41 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -75.12 106.64 6.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 93.5 p -79.6 137.5 37.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.7 p -131.57 175.88 8.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 96' ' ' SER . 9.9 t -96.51 -45.61 6.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.487 ' N ' HG23 ' A' ' 95' ' ' THR . 4.8 m -140.95 166.81 23.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.6 mt -47.75 -52.21 19.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -38.9 -59.56 0.95 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -41.03 -53.11 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 85.2 t -45.49 -48.73 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 86.3 t -56.02 -47.36 80.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -60.55 -45.08 95.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.431 ' CD1' ' CD1' ' A' ' 86' ' ' ILE . 11.5 t80 -50.12 -50.31 48.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -60.02 -54.88 40.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 86.1 t -44.27 -55.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.0 t -65.87 -45.27 82.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.787 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -41.55 -60.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.5 p -67.01 139.22 57.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -54.0 -38.82 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -96.64 127.0 42.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.83 109.0 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.606 HD22 HD21 ' A' ' 45' ' ' ASN . 37.4 mt -71.23 161.95 30.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.0 t -110.96 122.69 37.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.668 0.747 . . . . 0.0 111.166 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 148.56 65.03 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.556 2.171 . . . . 0.0 112.418 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.446 ' HB3' ' CB ' ' A' ' 47' ' ' LEU . 4.4 t80 -105.22 114.87 29.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.81 HD12 ' H ' ' A' ' 117' ' ' LEU . 17.4 tp -115.49 151.89 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.81 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -150.88 116.45 5.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.756 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.965 0.412 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -142.08 151.69 59.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 151.44 68.39 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.644 2.23 . . . . 0.0 112.329 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.2 m -61.38 -20.04 62.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.5 p -76.72 -19.84 57.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -74.13 146.22 43.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.402 HD11 HD12 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.73 149.88 28.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.463 ' HA ' ' CD ' ' A' ' 50' ' ' PRO . 27.0 mtmt -85.21 105.04 15.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 m -150.26 161.3 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 30' ' ' ARG . 1.4 t -86.65 137.79 32.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HG3' HD13 ' A' ' 31' ' ' LEU . 11.6 ptm180 -33.9 -41.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.829 HD22 ' H ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -56.17 -64.94 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -50.79 -46.56 59.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.484 ' CB ' HD11 ' A' ' 47' ' ' LEU . . . -55.22 -57.27 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -46.18 -63.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.728 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -58.97 -35.13 72.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -58.36 -43.36 88.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.998 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.684 HD21 HD22 ' A' ' 47' ' ' LEU . 44.4 mt -44.86 -58.44 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 6.2 pt-20 -63.28 -40.49 97.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 18.9 mtt180 -52.4 -53.78 40.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -107.55 80.65 0.96 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.666 0.746 . . . . 0.0 110.963 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -3.95 13.02 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.715 2.276 . . . . 0.0 112.343 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -106.87 -44.69 4.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.9 m -51.25 -33.7 29.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.38 -175.51 20.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -130.88 -32.0 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.949 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.462 HD12 ' CG2' ' A' ' 62' ' ' THR . 3.1 tp -85.52 94.47 9.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.684 HD22 HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -108.23 -176.6 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.453 HD12 ' C ' ' A' ' 47' ' ' LEU . 5.6 mp -143.95 130.03 19.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.5 ptt-85 -127.16 142.6 44.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.571 0.7 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.832 ' HA ' HG12 ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.75 141.32 44.97 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.807 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.832 HG12 ' HA ' ' A' ' 50' ' ' PRO . 32.9 m -111.68 161.1 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 111.088 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 t -112.16 133.15 54.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.7 t -95.88 121.64 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.464 ' HB ' HD21 ' A' ' 47' ' ' LEU . 53.1 m -107.66 114.99 29.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.462 ' CG2' HD12 ' A' ' 46' ' ' LEU . 69.7 p -119.36 134.66 55.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.47 ' HB3' HD13 ' A' ' 37' ' ' LEU . 69.4 ttt-85 -126.43 86.57 2.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -95.96 166.25 11.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.6 mtp -99.9 96.06 7.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.846 ' O ' HG22 ' A' ' 69' ' ' THR . 6.0 t-160 -107.7 136.57 47.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 52.19 27.84 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.85 40.7 99.57 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.439 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.846 HG22 ' O ' ' A' ' 66' ' ' HIS . 6.5 t -138.92 164.33 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 111.093 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -92.16 104.43 16.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.782 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.566 HG13 HG23 ' A' ' 69' ' ' THR . 16.7 m -111.12 132.35 59.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 78.3 t -129.13 114.59 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -122.79 168.37 12.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -131.69 149.2 52.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -132.17 108.11 9.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.78 146.57 51.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.5 t -111.81 101.5 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.185 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -66.04 149.8 49.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.31 88.04 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -111.14 95.68 5.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.06 -159.5 47.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.51 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 2.86 3.18 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.32 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -124.8 161.5 26.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -106.32 144.1 33.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 68.9 t -117.31 116.05 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.575 HG22 HG13 ' A' ' 88' ' ' VAL . 2.4 mt -68.82 127.45 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.082 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -72.62 75.75 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.575 HG13 HG22 ' A' ' 86' ' ' ILE . 27.2 m -134.81 -174.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -41.78 -58.82 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -107.82 143.24 26.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.522 0.677 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 89.01 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.73 2.286 . . . . 0.0 112.295 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -77.66 124.96 28.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 91.2 p -107.29 130.4 54.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.6 p -128.44 179.41 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.32 -39.18 9.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 m -142.89 -177.92 5.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.16 -28.22 63.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -53.33 -48.16 68.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.11 65.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 87.1 t -44.76 -50.3 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.402 HG13 HD21 ' A' ' 46' ' ' LEU . 91.4 t -50.2 -39.19 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -78.34 -39.99 37.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.559 ' CD1' HD12 ' A' ' 86' ' ' ILE . 21.3 t80 -47.28 -52.22 16.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -59.84 -46.18 90.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 49.3 t -50.31 -45.03 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.8 t -73.94 -55.43 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -44.6 -63.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 44.5 p -51.23 143.05 11.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -22.9 50.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -122.75 151.21 41.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.05 98.84 8.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.89 159.02 35.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.478 HG13 ' HD2' ' A' ' 114' ' ' PRO . 42.4 t -108.49 135.54 20.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.729 . . . . 0.0 111.189 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.478 ' HD2' HG13 ' A' ' 113' ' ' VAL . 54.2 Cg_endo -69.75 147.16 62.31 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.418 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -95.01 120.85 35.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.5 tp -126.67 131.52 51.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.32 110.74 15.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.0 t70 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.815 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.894 0.378 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -107.8 153.03 41.79 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.601 0.715 . . . . 0.0 111.075 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 160.65 48.93 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.0 p -61.62 -36.16 79.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p -52.79 -37.36 59.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 9.0 t80 -60.94 153.3 25.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.828 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.38 154.5 35.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.89 105.21 17.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.8 m -152.01 170.59 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.1 p -79.44 151.06 31.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.408 ' HB2' ' NH2' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -51.67 -18.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.8 mt -88.46 -50.79 6.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -56.26 -49.07 75.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.575 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -46.32 -38.34 8.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -68.35 -69.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -54.67 -21.55 11.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 33' ' ' ALA . 14.8 mt -65.15 -25.73 67.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.764 HD21 HD23 ' A' ' 47' ' ' LEU . 14.1 mt -71.15 -57.73 4.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.22 -32.9 72.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HG3' ' CD1' ' A' ' 35' ' ' LEU . 17.3 mmt180 -67.12 -54.55 20.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -108.71 78.77 0.95 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -46.12 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.415 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -51.56 -53.49 37.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 95.7 m -44.61 -50.67 9.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.22 -172.62 31.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.675 HD21 HD11 ' A' ' 112' ' ' LEU . 13.3 p-10 -121.83 -29.52 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 110.916 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.681 ' HA ' HG22 ' A' ' 62' ' ' THR . 6.3 tp -79.33 116.46 19.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.828 HD13 HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -141.22 155.5 46.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.491 ' HG ' HG22 ' A' ' 60' ' ' VAL . 5.5 mp -120.86 118.92 31.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.408 ' NH2' ' HB2' ' A' ' 30' ' ' ARG . 24.2 ptt85 -111.77 143.66 29.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.602 0.715 . . . . 0.0 110.857 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.445 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.8 Cg_endo -69.66 124.06 10.75 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.804 -179.836 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.1 t -128.37 140.42 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.784 0.326 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 m -104.61 159.47 15.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.491 HG22 ' HG ' ' A' ' 48' ' ' LEU . 21.9 t -125.2 118.46 52.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.468 HG22 HD11 ' A' ' 37' ' ' LEU . 2.6 m -104.19 121.55 43.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.681 HG22 ' HA ' ' A' ' 46' ' ' LEU . 62.1 p -137.99 136.91 37.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -136.08 145.14 45.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -167.84 172.56 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.6 ttm -69.19 97.99 0.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.85 ' O ' HG22 ' A' ' 69' ' ' THR . 2.8 t-80 -108.95 123.74 49.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 55.94 28.24 12.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.42 17.49 76.23 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.52 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.85 HG22 ' O ' ' A' ' 66' ' ' HIS . 14.8 t -126.58 162.11 26.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -98.44 118.29 34.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.8 p -148.99 144.99 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.8 t -108.42 120.68 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -93.88 164.73 12.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -145.37 150.37 36.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -136.26 157.34 47.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.62 140.15 52.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.3 t -114.63 135.54 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 79' ' ' ARG . 32.6 tptt -87.67 149.95 23.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.414 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 17.0 tpt85 -114.48 107.14 15.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -147.77 114.9 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.55 -169.48 33.34 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 2.71 3.25 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.17 151.66 43.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -116.39 119.52 35.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.412 HG23 ' HB3' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -94.26 122.69 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.7 mt -65.23 127.25 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -68.09 74.32 0.21 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.782 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 90' ' ' GLN . 1.0 OUTLIER -134.95 -176.96 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -39.84 -48.7 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 88' ' ' VAL . 37.4 mt-30 -120.93 141.48 32.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.528 0.68 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 89.18 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -83.05 102.75 11.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.6 p -75.84 156.57 34.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 27.3 p -146.95 -177.19 5.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.6 t -100.61 -39.03 8.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.178 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.9 t -147.58 -175.18 4.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.93 -38.71 72.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.53 -52.83 52.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.67 -46.21 49.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 94.8 t -46.29 -53.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.566 HG13 HD21 ' A' ' 46' ' ' LEU . 96.8 t -49.39 -46.41 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -57.33 -36.26 70.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -64.56 -31.38 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -82.09 -46.93 13.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.974 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.4 t -45.39 -26.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.5 t -82.39 -68.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -43.8 -53.04 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.3 p -58.66 -177.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -40.78 151.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.484 ' N ' ' HD3' ' A' ' 109' ' ' LYS . 15.2 ttmt -33.05 -34.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 109' ' ' LYS . . . -154.28 130.19 10.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.675 HD11 HD21 ' A' ' 45' ' ' ASN . 11.2 tp -119.68 134.54 55.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.6 t -85.8 124.36 71.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.665 0.745 . . . . 0.0 111.136 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 160.85 48.17 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 46' ' ' LEU . 12.0 t80 -108.89 120.55 42.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.4 tp -137.34 130.99 31.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.1 tt -121.76 102.59 8.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.815 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.611 ' O ' HD12 ' A' ' 97' ' ' LEU . 8.3 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.93 0.395 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -144.13 149.56 45.77 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 0.0 111.147 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.76 55.84 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.391 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 m -55.44 -48.17 74.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.7 p -45.23 -42.6 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 36.4 t80 -43.76 154.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.624 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.23 153.58 34.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -102.43 104.74 15.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 m -148.54 174.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.181 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 t -79.27 160.93 26.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -59.39 -47.04 86.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 mp -76.07 -24.02 55.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 33' ' ' ALA . 29.0 mt-10 -72.92 -59.42 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.613 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -34.59 -48.77 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.32 -66.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.674 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -56.61 -32.86 65.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' CD2' HD22 ' A' ' 26' ' ' LEU . 6.0 tp -43.61 -22.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.582 HD23 ' CE2' ' A' ' 115' ' ' PHE . 77.6 mt -77.92 -55.11 5.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 2.6 pt-20 -51.65 -26.51 9.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 74.0 mtt-85 -84.37 -40.67 17.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -126.31 59.49 31.5 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.02 29.95 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.636 2.224 . . . . 0.0 112.313 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -93.57 -16.98 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 p -79.99 -32.41 39.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.52 -179.95 24.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.643 HD21 HD11 ' A' ' 112' ' ' LEU . 1.8 p-10 -125.02 -26.46 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.375 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.421 HD21 HG13 ' A' ' 101' ' ' VAL . 9.0 tp -81.39 90.02 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.624 HD13 HD11 ' A' ' 26' ' ' LEU . 1.7 pp -115.37 148.49 39.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.53 ' HG ' HG22 ' A' ' 60' ' ' VAL . 5.2 mp -120.3 110.57 16.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 59' ' ' SER . 0.1 OUTLIER -99.16 151.24 37.32 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.593 0.711 . . . . 0.0 110.864 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 124.04 10.71 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.687 2.258 . . . . 0.0 112.374 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.799 -179.832 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.241 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.7 t -139.47 147.7 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 49' ' ' ARG . 31.0 m -111.75 159.18 18.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.53 HG22 ' HG ' ' A' ' 48' ' ' LEU . 48.1 t -133.56 124.05 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.1 m -108.11 112.17 24.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.166 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.6 p -119.24 127.02 52.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.484 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . 4.2 tmm_? -111.26 83.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -86.92 155.86 20.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.4 ttm -102.39 125.62 49.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.566 ' O ' HG22 ' A' ' 69' ' ' THR . 10.6 t-80 -122.89 103.41 8.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.36 31.35 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.01 43.87 32.1 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 66' ' ' HIS . 4.9 t -127.3 154.66 44.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 111.151 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.475 ' CG ' ' O ' ' A' ' 70' ' ' HIS . 1.6 p80 -99.22 122.42 42.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.7 t -149.45 134.75 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 82.5 t -108.32 104.98 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -94.24 140.59 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -122.02 131.89 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -109.84 141.04 43.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.987 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 77' ' ' VAL . 28.2 tptt -108.76 156.37 19.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.41 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 98.2 t -133.36 122.35 44.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 145.38 29.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -95.21 109.86 21.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -129.79 83.68 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.06 -157.19 36.89 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.43 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -2.32 9.96 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 pttm -114.53 170.88 7.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -123.0 109.99 14.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.8 t -86.55 124.79 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.477 HD12 ' CD1' ' A' ' 103' ' ' TYR . 6.1 mt -67.81 145.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -92.82 65.35 4.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.477 HG13 HG22 ' A' ' 86' ' ' ILE . 17.4 m -130.41 -178.56 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.056 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' VAL . 24.5 tp10 -36.42 -60.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -106.7 135.49 19.52 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.576 0.703 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 86.39 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.627 2.218 . . . . 0.0 112.373 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.728 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 50.5 t80 -81.02 109.93 16.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.0 p -81.98 151.65 27.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.447 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 17.5 p -141.23 -175.31 4.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.84 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.9 t -109.33 -29.13 8.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.6 p -163.66 176.21 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 20' ' ' GLU . 37.3 mt -58.66 -34.02 70.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -52.82 -44.63 66.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 94' ' ' CYS . . . -64.0 -50.03 70.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.3 t -45.05 -56.2 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 105' ' ' VAL . 89.6 t -46.83 -42.04 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -69.81 -45.99 66.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.728 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 55.6 t80 -46.74 -45.06 19.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -67.02 -40.95 87.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 101' ' ' VAL . 89.9 t -58.44 -50.96 76.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 t -72.35 -48.38 42.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -43.84 -54.64 5.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 67.5 p -82.19 144.74 30.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -70.39 -67.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -41.92 163.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.63 109.69 19.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.099 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.643 HD11 HD21 ' A' ' 45' ' ' ASN . 12.0 tp -91.51 111.14 22.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.5 t -85.39 123.03 73.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.66 0.743 . . . . 0.0 111.065 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 144.58 54.29 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.722 2.281 . . . . 0.0 112.321 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.582 ' CE2' HD23 ' A' ' 37' ' ' LEU . 1.8 t80 -83.65 114.0 21.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.7 tp -122.86 138.41 54.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.441 HD13 ' N ' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -126.87 117.53 22.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.966 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.441 ' N ' HD13 ' A' ' 117' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.563 ' HG2' HG23 ' A' ' 21' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.908 0.385 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.563 HG23 ' HG2' ' A' ' 20' ' ' GLU . 1.2 p -110.02 152.64 43.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 159.61 52.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.635 2.223 . . . . 0.0 112.325 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.5 p -61.8 -38.57 88.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.0 m -53.88 -24.33 15.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.818 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 3.5 t80 -76.07 150.2 37.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.906 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.36 156.22 39.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -98.38 105.2 17.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -153.36 154.82 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.407 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 1.6 m -54.07 161.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.819 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.6 HH12 HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -71.04 -26.31 63.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.87 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.6 HD12 HH12 ' A' ' 30' ' ' ARG . 11.6 mt -87.56 -20.86 25.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 35' ' ' LEU . 22.7 mt-10 -80.73 -58.68 2.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -36.5 -35.69 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -66.76 -44.29 81.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.653 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -66.79 -40.03 88.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.5 mt -47.36 -29.95 2.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.585 HD13 ' CB ' ' A' ' 63' ' ' ARG . 62.4 mt -65.47 -67.21 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -50.98 -26.29 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.574 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 48.3 mmt-85 -71.73 -50.28 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.817 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 2.8 m-85 -125.08 80.49 64.17 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.69 0.757 . . . . 0.0 110.927 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -47.19 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.632 2.221 . . . . 0.0 112.399 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.49 -37.83 63.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.65 -46.97 83.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 154.49 -178.73 31.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.539 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.468 ' HA ' HD22 ' A' ' 37' ' ' LEU . 1.8 p-10 -122.67 -29.52 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.604 ' HB2' HD23 ' A' ' 112' ' ' LEU . 6.7 tp -78.94 126.24 30.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.906 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -151.21 163.47 38.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.837 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.672 ' N ' HD12 ' A' ' 47' ' ' LEU . 6.9 mp -124.83 124.58 42.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.473 ' CD ' ' HA ' ' A' ' 30' ' ' ARG . 41.6 ptt85 -118.35 151.49 49.54 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.646 0.736 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 123.21 9.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.356 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.876 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 p -141.11 133.52 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 111.093 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.417 ' OG ' ' CG ' ' A' ' 49' ' ' ARG . 4.7 p -88.33 159.45 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.538 HG21 ' CE2' ' A' ' 104' ' ' PHE . 60.3 t -125.06 93.66 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.9 m -82.74 116.9 22.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.7 p -127.65 124.66 38.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.585 ' CB ' HD13 ' A' ' 37' ' ' LEU . 3.8 tmt_? -119.21 83.49 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 65' ' ' MET . 4.9 tp60 -92.63 144.74 25.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.446 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 2.4 ttt -72.88 112.24 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.742 ' O ' HG22 ' A' ' 69' ' ' THR . 3.9 m170 -126.62 145.0 50.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 m120 43.08 34.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 51.59 43.77 53.4 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.428 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 66' ' ' HIS . 14.5 t -140.22 165.73 26.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 111.118 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -95.3 104.85 16.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.701 HG23 HG23 ' A' ' 69' ' ' THR . 62.4 t -129.38 132.83 66.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.544 HG22 ' CG ' ' A' ' 63' ' ' ARG . 24.9 t -119.12 131.61 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -119.1 160.46 22.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -140.59 130.8 24.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -114.45 146.17 40.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 77' ' ' VAL . 6.9 tmtm? -105.42 143.32 33.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.41 ' N ' ' HD3' ' A' ' 76' ' ' LYS . 92.3 t -117.72 122.29 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 79' ' ' ARG . 12.0 ttmm -86.56 153.8 21.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.466 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -111.3 108.24 17.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -134.72 104.13 5.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.53 -157.36 53.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -0.41 6.85 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.362 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -126.81 156.24 41.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -117.28 121.44 41.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.0 t -91.55 138.09 20.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.64 ' CD1' ' CD1' ' A' ' 103' ' ' TYR . 25.0 mt -81.96 135.63 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.31 76.26 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.0 m -142.02 178.12 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 88' ' ' VAL . 14.5 mt-10 -35.03 -56.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -110.79 130.48 22.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 88.19 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.659 2.239 . . . . 0.0 112.428 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.665 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 73.8 t80 -81.04 121.53 26.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 90.8 p -77.92 146.18 35.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 24.7 m -137.29 114.83 11.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.06 -36.49 65.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.1 m -155.62 172.11 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 26.0 mt -56.91 -30.45 63.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.58 -43.33 75.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.16 -55.38 25.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.059 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.1 t -38.24 -53.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.663 ' O ' HG23 ' A' ' 105' ' ' VAL . 41.1 t -51.8 -48.66 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -64.12 -54.75 29.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.665 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 8.3 t80 -43.45 -44.99 6.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.538 ' CE2' HG21 ' A' ' 60' ' ' VAL . 11.3 m-85 -70.68 -43.41 69.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 101' ' ' VAL . 37.1 t -45.04 -45.76 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.6 t -90.39 -47.69 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.779 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 108' ' ' THR . 81.9 t60 -48.92 -64.69 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 107' ' ' HIS . 40.9 p -36.06 -64.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -149.67 -178.13 6.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -46.35 -37.95 8.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -165.57 132.09 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.604 HD23 ' HB2' ' A' ' 46' ' ' LEU . 7.4 tp -125.58 160.27 30.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.7 t -113.3 128.63 25.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.676 0.75 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 164.29 35.12 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' LEU . 33.8 t80 -115.98 122.05 44.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.827 HD12 ' H ' ' A' ' 117' ' ' LEU . 16.4 tp -128.63 149.07 50.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.827 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -138.29 107.75 6.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.83 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.861 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.885 0.374 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -137.38 148.85 63.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.612 0.72 . . . . 0.0 111.212 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 146.9 61.83 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.312 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.2 m -48.73 -40.29 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.46 ' HA ' HD13 ' A' ' 116' ' ' LEU . 29.8 p -47.48 -43.41 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.545 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 67.7 t80 -50.05 152.97 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.766 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.48 152.39 31.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -90.91 104.94 17.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.544 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 2.9 m -150.87 163.1 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -76.56 -176.94 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -66.09 -43.12 88.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' GLN . 11.1 mt -81.73 -52.3 7.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -36.75 -39.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.544 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . . . -72.21 -45.19 61.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' LEU . 15.9 tt0 -55.74 -37.78 68.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -83.63 -24.17 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 mt -67.85 -20.74 65.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.615 HD21 HD23 ' A' ' 47' ' ' LEU . 62.6 mt -76.08 -67.12 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -54.25 -30.8 51.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -70.85 -38.46 73.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -131.17 70.18 82.3 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.681 0.753 . . . . 0.0 110.915 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -37.37 9.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.238 . . . . 0.0 112.386 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.05 -27.14 68.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -85.59 37.93 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.74 179.98 46.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -132.92 -52.62 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 110.864 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.525 HD21 HG13 ' A' ' 101' ' ' VAL . 9.9 tp -50.07 89.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.766 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -114.19 143.17 45.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 47' ' ' LEU . 6.3 mp -108.88 119.27 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.456 ' HD3' ' HB3' ' A' ' 33' ' ' ALA . 15.0 ptt85 -116.6 136.84 23.25 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.545 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.4 Cg_endo -69.79 125.01 11.63 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.874 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.2 m -107.21 177.21 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 111.056 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -104.41 143.4 33.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.84 115.13 46.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 29.5 m -97.25 113.29 24.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.9 p -125.68 131.67 52.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -110.46 92.29 3.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -95.65 -175.5 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.6 mtp -126.28 107.58 10.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.577 ' O ' HG22 ' A' ' 69' ' ' THR . 52.1 t60 -122.57 127.98 50.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 t30 67.18 27.37 8.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.24 39.34 97.06 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 66' ' ' HIS . 1.3 t -140.83 160.03 40.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 0.0 111.147 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 70' ' ' HIS . 5.3 p80 -83.17 116.2 22.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.0 m -122.5 147.88 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.4 t -133.69 111.3 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.77 134.4 55.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -114.21 116.69 29.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -84.01 145.9 28.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -112.67 127.99 56.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.5 t -94.21 107.08 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -62.64 160.84 13.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -113.51 111.93 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.28 79.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.15 -150.98 43.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 -0.85 7.59 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.687 2.258 . . . . 0.0 112.295 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -112.35 159.82 18.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.935 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -115.72 111.86 21.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.9 t -90.6 132.95 33.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 87' ' ' ASP . 12.5 mt -83.79 155.14 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.448 ' N ' HG22 ' A' ' 86' ' ' ILE . 5.4 t70 -96.44 71.53 2.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 90' ' ' GLN . 3.4 m -138.23 172.8 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -38.19 -50.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.509 ' O ' HG23 ' A' ' 88' ' ' VAL . 13.7 tt0 -105.18 130.39 23.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.558 0.694 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 85.5 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.374 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.571 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 80.8 t80 -89.67 116.59 27.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.4 p -102.92 166.79 10.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.54 ' SG ' ' CE2' ' A' ' 92' ' ' PHE . 38.1 m -159.06 161.64 36.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.9 p -83.89 -48.53 9.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.542 ' HG ' ' CG ' ' A' ' 98' ' ' ASP . 80.0 p -116.04 165.68 12.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 98' ' ' ASP . 13.5 mt -64.83 -48.95 72.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.542 ' CG ' ' HG ' ' A' ' 96' ' ' SER . 0.6 OUTLIER -37.81 -61.92 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -42.44 -43.68 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.4 t -56.32 -46.25 81.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.525 HG13 HD21 ' A' ' 46' ' ' LEU . 47.4 t -55.97 -41.86 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -65.35 -55.2 19.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.571 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 30.8 t80 -39.56 -65.48 0.38 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 103' ' ' TYR . 10.1 m-85 -35.55 -56.29 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 62.0 t -39.64 -54.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.0 t -70.47 -45.59 65.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.414 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 76.4 t60 -45.87 -56.58 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.456 HG21 ' CD1' ' A' ' 112' ' ' LEU . 66.5 p -54.54 -174.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.29 7.36 9.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.52 169.58 14.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.06 97.69 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.456 ' CD1' HG21 ' A' ' 108' ' ' THR . 66.6 mt -93.17 157.12 16.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 114' ' ' PRO . 95.5 t -129.62 138.9 34.14 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.596 0.712 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 113' ' ' VAL . 54.3 Cg_endo -69.76 147.82 63.73 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.679 2.253 . . . . 0.0 112.394 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 5.5 t80 -101.37 138.44 38.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 24' ' ' CYS . 58.5 tp -147.87 158.4 44.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 117' ' ' LEU . 0.5 OUTLIER -137.69 117.91 13.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 179.86 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.952 0.406 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.509 HG22 HD12 ' A' ' 97' ' ' LEU . 1.1 p -146.22 148.33 34.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.518 0.675 . . . . 0.0 111.213 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.543 ' HG3' HG21 ' A' ' 101' ' ' VAL . 53.9 Cg_endo -69.73 146.03 59.14 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.73 2.287 . . . . 0.0 112.386 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.3 m -46.78 -49.04 20.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.3 p -42.02 -43.95 3.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -49.38 152.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.775 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.42 151.72 31.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -92.38 104.83 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.56 175.04 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.095 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.8 p -86.73 160.54 18.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.415 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -57.8 -21.28 41.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.0 mt -87.34 -55.99 3.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.566 ' HA ' HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -48.05 -58.31 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.539 ' HB1' HD21 ' A' ' 47' ' ' LEU . . . -34.06 -38.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -67.96 -51.52 46.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.66 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -56.17 -41.47 75.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.797 HD23 ' CZ ' ' A' ' 115' ' ' PHE . 2.5 mp -50.91 -26.57 6.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 45' ' ' ASN . 59.7 mt -74.62 -66.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -54.97 -35.87 64.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.58 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 6.3 mmm-85 -73.76 -51.25 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -119.13 76.59 15.86 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.674 0.75 . . . . 0.0 110.93 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -45.97 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.588 2.192 . . . . 0.0 112.363 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -54.97 -39.49 69.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.2 m -52.01 -43.82 63.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.35 178.49 23.53 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.504 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -120.06 -38.68 2.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.379 . . . . 0.0 110.866 -179.852 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.5 tp -74.67 92.11 2.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.775 HD13 HD11 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -116.02 134.63 54.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.855 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.3 mp -101.87 119.33 38.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.415 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 41.8 ptt85 -115.57 152.28 47.01 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.634 0.73 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 148.04 64.5 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.65 2.233 . . . . 0.0 112.414 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.6 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.807 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.9 t -139.77 138.85 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 111.061 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.6 t -107.64 146.21 32.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -119.1 116.43 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.5 m -97.73 128.71 44.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 79.4 p -135.38 124.73 24.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.622 ' HD3' HG22 ' A' ' 72' ' ' VAL . 13.0 tpt85 -105.77 100.97 10.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -105.97 178.05 4.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.1 tpt -115.34 110.0 18.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.614 ' O ' HG22 ' A' ' 69' ' ' THR . 68.8 t60 -132.48 148.43 52.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.78 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 39.3 41.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 43.06 42.81 5.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 66' ' ' HIS . 11.3 t -140.31 148.14 40.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 111.117 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.43 ' HB3' ' NH2' ' A' ' 63' ' ' ARG . 6.9 p80 -75.97 112.07 12.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.48 139.48 51.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.622 HG22 ' HD3' ' A' ' 63' ' ' ARG . 57.4 t -127.65 120.22 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.432 ' HD2' ' CZ ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -109.51 145.01 36.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' A' ' 74' ' ' HIS . 1.8 p80 -128.04 105.73 8.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.432 ' CZ ' ' HD2' ' A' ' 73' ' ' ARG . 98.3 m-85 -81.13 141.01 34.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -103.14 160.66 14.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 78.2 t -129.95 132.62 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -100.49 151.46 21.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -96.63 97.89 9.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.27 85.24 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.15 -153.16 49.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -3.51 12.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.749 2.299 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.38 166.56 13.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -117.32 138.79 51.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.0 m -109.23 134.57 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.505 ' CD1' ' CD1' ' A' ' 103' ' ' TYR . 52.6 mt -79.89 154.0 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.429 ' N ' HG22 ' A' ' 86' ' ' ILE . 1.2 m-20 -88.4 64.56 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.48 HG13 HG22 ' A' ' 86' ' ' ILE . 30.0 m -131.81 179.54 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' VAL . 4.5 tt0 -34.36 -58.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -114.25 143.06 29.05 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 85.01 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.403 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.575 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 30.3 t80 -66.44 106.38 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.5 p -75.92 143.58 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.421 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 29.1 p -145.9 141.8 28.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 96' ' ' SER . 10.0 t -66.35 -41.9 88.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.43 ' N ' HG23 ' A' ' 95' ' ' THR . 70.7 m -143.13 176.48 9.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.798 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.509 HD12 HG22 ' A' ' 21' ' ' THR . 9.5 mt -61.93 -45.05 95.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 97' ' ' LEU . 1.5 t70 -38.24 -55.61 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.421 ' HB3' ' HB2' ' A' ' 94' ' ' CYS . . . -50.65 -52.94 35.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 99.9 t -41.43 -50.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.611 ' O ' HG23 ' A' ' 105' ' ' VAL . 69.4 t -52.72 -49.75 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -60.64 -43.14 97.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.575 ' CD2' ' CD1' ' A' ' 92' ' ' PHE . 56.3 t80 -52.09 -51.44 57.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -61.94 -55.39 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 101' ' ' VAL . 94.7 t -39.27 -48.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.7 t -76.64 -54.13 7.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -44.29 -62.25 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 110' ' ' LYS . 12.8 t -46.56 148.75 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -67.69 -60.59 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.533 ' O ' HG23 ' A' ' 108' ' ' THR . 0.5 OUTLIER -80.33 157.78 26.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.41 88.49 6.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.163 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.1 mp -68.2 139.78 56.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 18.3 t -94.05 131.18 32.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.634 0.73 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.89 130.66 19.56 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.292 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.797 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 3.3 t80 -80.69 127.44 32.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.9 tp -143.24 144.67 32.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tt -130.48 109.91 11.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.986 0.422 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 p -140.75 151.83 64.14 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.568 0.699 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 134.45 27.9 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.729 2.286 . . . . 0.0 112.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.7 m -38.91 -51.18 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.9 p -40.11 -44.47 1.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -45.98 153.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.479 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.29 151.12 30.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.5 104.99 17.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.425 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 3.0 m -152.29 170.79 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.179 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.8 m -81.01 165.3 21.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 4.6 ptp180 -50.87 -34.56 28.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 32' ' ' GLU . 12.9 mt -85.84 -53.81 4.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' LEU . 15.8 mm-40 -37.44 -40.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.608 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -71.29 -48.45 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.076 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -57.15 -52.25 66.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 35' ' ' LEU . 1.9 pp -63.06 -31.57 72.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.62 -32.88 74.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.68 HD13 ' HB2' ' A' ' 63' ' ' ARG . 95.3 mt -72.37 -65.78 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 8.4 pt-20 -40.09 -34.54 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.468 ' NH1' HD13 ' A' ' 35' ' ' LEU . 28.1 mtt85 -73.76 -51.02 17.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -114.08 76.52 3.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.689 0.757 . . . . 0.0 110.974 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -45.47 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.657 2.238 . . . . 0.0 112.337 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -61.67 -46.12 91.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 m -45.74 -55.96 5.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.59 157.53 17.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.437 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.573 ' HA ' HD22 ' A' ' 37' ' ' LEU . 2.8 p-10 -115.31 -39.47 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.797 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.8 97.51 3.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.956 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.608 HD11 ' HB1' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -117.83 148.24 42.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.589 ' HG ' HG22 ' A' ' 60' ' ' VAL . 6.5 mp -114.49 115.92 28.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.429 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 6.5 ptm180 -113.35 145.19 32.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.83 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 130.57 19.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.719 2.28 . . . . 0.0 112.35 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.0 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.79 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.0 t -119.76 145.02 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m -114.19 150.11 34.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.589 HG22 ' HG ' ' A' ' 48' ' ' LEU . 61.4 t -115.69 123.22 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.4 m -112.15 117.99 34.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.184 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.6 p -115.09 142.11 47.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.09 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.68 ' HB2' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -126.54 85.03 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -98.89 140.03 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 8.4 tpt -84.62 107.23 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.528 ' HB3' HG22 ' A' ' 69' ' ' THR . 3.7 t-160 -69.81 -178.88 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' HIS . 6.0 t-20 -33.66 -39.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -177.42 35.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 66' ' ' HIS . 6.1 t -141.32 155.41 45.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 111.167 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -100.43 103.96 15.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.3 t -118.82 133.53 65.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.4 t -119.53 119.89 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -98.15 171.62 8.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -145.1 135.97 24.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -126.6 160.76 29.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -129.51 164.02 24.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.2 t -133.37 144.7 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.191 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -107.86 175.48 5.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.74 93.63 4.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -117.32 85.28 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.23 -155.52 51.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 3.02 3.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.246 . . . . 0.0 112.307 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.7 154.86 43.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -111.52 144.13 41.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 85' ' ' VAL . 27.1 m -119.52 115.5 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.2 mt -55.71 151.48 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.93 59.74 5.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 90' ' ' GLN . 10.7 m -126.79 168.48 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' VAL . 49.9 mm-40 -36.62 -45.9 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.574 ' O ' HG23 ' A' ' 88' ' ' VAL . 65.4 tt0 -113.32 124.67 30.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 86.36 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -66.78 102.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.1 m -88.36 130.71 35.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 28.6 p -137.26 -179.73 5.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.1 t -73.92 -38.56 64.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.4 p -168.13 165.88 13.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 98' ' ' ASP . 15.9 mt -39.57 -42.65 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' LEU . 33.3 t70 -36.41 -49.56 0.72 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.28 -50.15 72.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.065 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.8 t -43.37 -53.24 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.7 t -44.93 -46.05 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -74.2 -43.1 58.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -48.8 -46.06 41.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.987 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -61.37 -52.75 63.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 112' ' ' LEU . 87.8 t -49.05 -61.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.185 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.3 t -58.74 -51.26 70.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -43.96 -58.62 2.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.872 HG21 HD11 ' A' ' 112' ' ' LEU . 81.5 p -65.49 135.75 55.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -51.75 -33.73 36.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -94.86 158.84 15.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.807 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -83.01 98.02 9.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.872 HD11 HG21 ' A' ' 108' ' ' THR . 84.9 mt -69.95 107.04 3.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.408 HG13 ' HD2' ' A' ' 114' ' ' PRO . 97.5 t -76.62 132.12 72.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.562 0.696 . . . . 0.0 111.148 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.408 ' HD2' HG13 ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.73 151.93 69.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -106.7 133.71 50.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 41.5 tp -140.11 147.38 40.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.02 111.31 5.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.868 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.026 0.441 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -132.03 150.45 76.13 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.655 0.741 . . . . 0.0 111.086 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.06 15.16 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 t -74.99 -37.25 61.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -57.73 -37.13 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -55.43 146.82 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.707 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.56 153.13 32.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -93.63 104.8 16.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.437 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 4.3 m -150.38 171.75 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 m -95.97 144.31 26.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 27.8 ptt180 -42.41 -42.1 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.827 HD22 ' H ' ' A' ' 31' ' ' LEU . 2.0 mm? -51.34 -57.71 8.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 35' ' ' LEU . 15.3 mm-40 -66.44 -61.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.804 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -33.84 -38.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 32' ' ' GLU . 6.0 tt0 -64.94 -48.51 73.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.695 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -77.38 -19.23 56.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 33' ' ' ALA . 12.0 mt -62.94 -20.08 64.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.564 HD21 HD23 ' A' ' 47' ' ' LEU . 18.1 mt -75.25 -58.47 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -37.75 72.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -60.69 -56.05 25.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -116.3 78.14 7.94 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.664 0.745 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -50.15 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.629 2.219 . . . . 0.0 112.358 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -51.28 -28.57 12.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.4 m -84.34 35.69 0.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.79 -176.07 11.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -128.82 -29.46 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 115' ' ' PHE . 10.9 tp -64.19 98.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.707 HD13 HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -123.55 153.85 40.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.998 179.867 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 47' ' ' LEU . 8.1 mp -115.8 123.63 48.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 30' ' ' ARG . 12.4 ptt85 -122.59 147.5 50.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.561 0.696 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 127.34 14.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.879 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.8 p -145.33 143.13 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 111.1 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 m -95.99 155.0 16.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.27 108.79 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.9 m -89.61 112.62 23.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.1 p -122.6 118.77 28.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.405 ' CB ' HD13 ' A' ' 37' ' ' LEU . 10.2 ttp85 -108.88 92.17 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -82.64 -176.96 6.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.0 tpt -128.58 105.22 8.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 68' ' ' GLY . 4.0 t-160 -105.97 -173.9 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' HIS . 0.4 OUTLIER -33.32 93.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 66' ' ' HIS . . . 35.37 34.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.561 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.451 ' CG2' ' HB3' ' A' ' 66' ' ' HIS . 11.3 t -139.92 131.99 27.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.81 0.338 . . . . 0.0 111.189 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.45 ' H ' ' CD2' ' A' ' 70' ' ' HIS . 7.9 p80 -96.9 107.67 20.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.88 145.07 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 68.1 t -124.36 96.72 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -96.99 153.72 17.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -128.08 121.67 30.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -108.25 121.57 45.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -93.43 140.2 29.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 85' ' ' VAL . 99.1 t -113.42 115.37 49.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.156 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 85' ' ' VAL . 20.3 ttpt -69.48 156.98 38.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -108.14 128.43 54.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -150.02 105.85 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.01 -157.48 35.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.47 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 -6.97 19.82 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.792 2.328 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.9 pttm -110.42 152.64 26.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -102.04 140.9 35.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 77' ' ' VAL . 69.7 t -116.48 130.31 71.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.537 HG22 HG22 ' A' ' 88' ' ' VAL . 46.5 mt -86.67 142.19 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 4.7 t70 -89.01 66.09 7.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.537 HG22 HG22 ' A' ' 86' ' ' ILE . 4.1 m -132.97 -175.88 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 88' ' ' VAL . 2.9 pt-20 -33.25 -62.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -111.68 138.75 21.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.511 0.672 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 86.57 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.683 2.255 . . . . 0.0 112.285 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 103' ' ' TYR . 45.3 t80 -74.73 112.48 10.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.1 p -98.57 137.58 37.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.56 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 21.5 p -126.65 -175.11 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.0 t -100.94 -14.74 17.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' LEU . 76.8 p -168.91 143.44 3.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' SER . 0.8 OUTLIER -32.89 -49.78 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 97' ' ' LEU . 9.7 t0 -36.22 -64.38 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.56 ' HB3' ' HB2' ' A' ' 94' ' ' CYS . . . -38.94 -52.88 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.089 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.428 HG11 HG21 ' A' ' 77' ' ' VAL . 61.5 t -39.45 -44.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.183 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.02 -36.19 74.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 99' ' ' ALA . 16.3 m-80 -72.81 -39.77 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.483 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 60.1 t80 -44.06 -49.62 8.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 106' ' ' SER . 49.4 m-85 -59.9 -57.77 11.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 104' ' ' PHE . 98.8 t -35.86 -33.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 104' ' ' PHE . 1.7 t -90.29 -52.99 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 107' ' ' HIS . 1.9 t60 -50.11 -52.46 34.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.542 HG21 ' HA ' ' A' ' 111' ' ' ALA . 6.9 t -34.27 131.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 110' ' ' LYS . 20.4 ptmt -43.69 -45.59 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 109' ' ' LYS . 10.2 mmmt -116.85 -69.76 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.542 ' HA ' HG21 ' A' ' 108' ' ' THR . . . -163.34 174.87 11.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 tp -162.35 110.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.5 HG13 ' HD2' ' A' ' 114' ' ' PRO . 91.2 t -77.13 134.41 67.64 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.66 0.743 . . . . 0.0 111.108 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.5 ' HD2' HG13 ' A' ' 113' ' ' VAL . 53.6 Cg_endo -69.76 169.23 19.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.256 . . . . 0.0 112.39 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 46' ' ' LEU . 18.7 t80 -118.99 113.91 21.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.442 HD12 ' H ' ' A' ' 117' ' ' LEU . 37.3 tp -126.21 143.09 51.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.442 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -134.55 106.8 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.98 179.815 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.903 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.884 0.373 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.544 HG22 HD12 ' A' ' 97' ' ' LEU . 1.1 p -123.91 149.13 58.92 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.57 0.7 . . . . 0.0 111.146 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 157.36 60.8 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 m -56.75 -48.56 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.6 p -40.28 -45.22 2.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 6.6 t80 -46.96 148.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.591 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.53 152.15 31.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -90.79 104.82 17.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 m -151.86 166.26 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.0 m -89.42 151.81 21.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -38.74 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.797 HD22 ' H ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -60.31 -46.88 88.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.596 ' OE1' HD21 ' A' ' 35' ' ' LEU . 14.1 mm-40 -68.5 -64.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.705 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -34.06 -33.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' GLU . 38.1 tt0 -73.17 -68.05 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.634 ' C ' HD12 ' A' ' 35' ' ' LEU . 3.2 pp -52.35 -26.69 12.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' ' 33' ' ' ALA . 19.9 mt -58.36 -26.66 63.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.477 HD21 HD23 ' A' ' 47' ' ' LEU . 23.3 mt -72.1 -60.31 2.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 8.5 pt-20 -62.07 -38.43 88.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.517 ' HD2' HD13 ' A' ' 35' ' ' LEU . 15.5 mtp85 -59.48 -54.3 48.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -117.0 81.01 11.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.637 0.732 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 -36.2 11.13 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.339 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -67.79 -54.22 20.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.1 m -39.47 -46.17 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 154.77 -175.9 32.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.59 HD21 HD11 ' A' ' 112' ' ' LEU . 6.5 p-10 -132.32 -32.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.66 ' HB2' HD23 ' A' ' 112' ' ' LEU . 10.5 tp -78.79 90.77 4.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.591 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -112.16 157.84 20.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 47' ' ' LEU . 5.8 mp -124.49 115.8 21.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.06 140.61 37.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.549 0.69 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.72 132.91 24.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.886 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.504 HG22 ' N ' ' A' ' 59' ' ' SER . 7.8 p -136.51 158.1 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 111.191 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.504 ' N ' HG22 ' A' ' 58' ' ' VAL . 1.8 m -111.17 156.99 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.451 HG12 HG23 ' A' ' 62' ' ' THR . 21.7 t -116.33 121.84 68.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 m -102.69 106.0 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.451 HG23 HG12 ' A' ' 60' ' ' VAL . 50.0 p -121.94 139.35 53.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.7 ttp85 -131.75 92.37 3.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.8 mp0 -90.68 154.37 19.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.4 tpt -79.93 121.47 25.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.554 ' O ' HG22 ' A' ' 69' ' ' THR . 47.6 t60 -148.33 143.68 27.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.819 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 44.47 41.09 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 43.68 38.45 4.25 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 66' ' ' HIS . 5.5 t -139.74 156.0 47.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.84 0.352 . . . . 0.0 111.135 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -91.95 106.56 18.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.796 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.0 p -111.52 133.82 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.14 119.04 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -110.42 159.65 17.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -130.51 140.13 50.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -129.73 118.25 21.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -92.66 148.23 22.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.1 t -123.5 123.27 67.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.7 150.07 32.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -111.76 104.67 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -144.33 114.68 7.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.39 -165.35 54.34 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.445 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.89 2.02 3.99 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.606 2.204 . . . . 0.0 112.284 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.01 167.04 18.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -126.62 107.84 10.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 85' ' ' VAL . 27.0 m -79.47 115.11 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.486 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 64.8 mt -56.65 153.31 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.427 ' N ' HG22 ' A' ' 86' ' ' ILE . 3.3 t70 -87.7 64.34 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 90' ' ' GLN . 2.1 m -127.84 178.3 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' VAL . 0.5 OUTLIER -34.12 -47.65 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 88' ' ' VAL . 58.3 mt-30 -124.19 140.21 34.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 91.94 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.738 ' CD2' ' CD1' ' A' ' 103' ' ' TYR . 34.4 t80 -74.85 102.57 4.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.1 p -71.24 116.18 11.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.804 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 26.6 p -114.21 131.04 56.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.0 p -59.15 -36.07 74.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 t -153.04 179.07 9.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.544 HD12 HG22 ' A' ' 21' ' ' THR . 11.6 mt -65.12 -45.2 86.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.33 -49.04 9.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -54.3 -38.77 66.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.9 t -52.97 -45.16 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.489 HG13 HD21 ' A' ' 46' ' ' LEU . 66.0 t -57.28 -34.33 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -82.06 -22.83 36.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.738 ' CD1' ' CD2' ' A' ' 92' ' ' PHE . 90.6 t80 -54.3 -51.34 64.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.416 ' O ' HG23 ' A' ' 108' ' ' THR . 42.8 m-85 -73.69 -37.49 65.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 101' ' ' VAL . 4.6 t -42.8 -52.52 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.201 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -58.39 -67.24 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.809 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.444 ' NE2' ' O ' ' A' ' 103' ' ' TYR . 2.8 m-70 -41.44 -68.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 109' ' ' LYS . 72.4 p -36.84 155.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 108' ' ' THR . 15.0 tptt -33.29 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.29 -52.91 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -175.12 159.79 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.056 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.66 HD23 ' HB2' ' A' ' 46' ' ' LEU . 9.8 tp -116.75 115.27 25.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.57 119.09 29.97 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.561 0.696 . . . . 0.0 111.222 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.98 18.59 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.71 2.273 . . . . 0.0 112.306 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -79.17 140.5 37.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.5 tp -147.44 131.9 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.99 112.24 17.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.962 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.863 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.854 ' HG3' HG23 ' A' ' 21' ' ' THR . 4.7 pt-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.914 0.388 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.854 HG23 ' HG3' ' A' ' 20' ' ' GLU . 1.2 p -123.34 150.7 61.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.573 0.702 . . . . 0.0 111.092 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 146.94 61.27 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.688 2.258 . . . . 0.0 112.317 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.2 m -43.1 -48.01 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.3 m -38.26 -44.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.466 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 51.6 t80 -50.54 154.63 1.27 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.707 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.25 152.93 32.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -94.74 104.97 16.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.507 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 3.0 m -148.67 175.22 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.2 m -82.5 160.34 22.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.476 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 3.7 tmt_? -56.07 -42.37 76.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.82 -45.15 53.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' HD23 ' A' ' 36' ' ' LEU . 15.0 mt-10 -53.59 -60.21 3.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.507 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . . . -41.89 -30.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -73.52 -45.73 51.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.59 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -70.04 -33.34 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 32' ' ' GLU . 4.3 mm? -53.81 -16.61 1.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' A' ' 63' ' ' ARG . 95.8 mt -81.54 -56.38 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.61 -31.7 70.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -73.8 -51.93 14.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -119.54 71.45 13.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 110.997 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -44.84 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -60.14 -26.71 66.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.7 m -65.48 -43.11 91.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.07 167.34 21.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.634 HD22 HD21 ' A' ' 112' ' ' LEU . 13.1 t30 -118.87 -27.95 5.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.804 ' HB2' HD23 ' A' ' 112' ' ' LEU . 6.1 tp -90.33 97.72 11.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.707 HD13 HD11 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -116.81 157.2 25.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.977 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.516 ' HG ' HG22 ' A' ' 60' ' ' VAL . 6.8 mp -120.36 118.54 30.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.476 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 7.4 ptm180 -116.17 148.05 40.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.662 0.744 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.466 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.9 150.61 67.59 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.284 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.84 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.2 m -102.83 170.44 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -112.44 139.3 48.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.516 HG22 ' HG ' ' A' ' 48' ' ' LEU . 60.4 t -99.57 128.97 50.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 60.8 m -110.52 105.42 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.474 HG23 HG12 ' A' ' 60' ' ' VAL . 29.8 p -119.4 138.13 53.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.417 ' H ' ' CG ' ' A' ' 45' ' ' ASN . 6.7 tmm_? -123.24 95.67 4.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.92 140.81 31.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.2 tpt -73.55 98.37 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -121.32 142.91 49.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 45.34 28.89 0.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 54.87 36.81 60.71 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.422 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.491 HG23 HG23 ' A' ' 71' ' ' VAL . 5.1 t -139.7 135.47 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.925 0.393 . . . . 0.0 111.163 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -62.83 119.41 9.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.826 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.491 HG23 HG23 ' A' ' 69' ' ' THR . 46.4 t -135.68 131.42 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 62.1 t -115.34 115.13 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.9 tpt85 -99.67 134.99 41.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -111.04 129.87 55.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -115.64 126.53 54.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -93.19 131.52 38.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.972 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.6 t -95.58 115.86 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -63.31 179.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.1 tpt85 -142.21 106.68 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -144.11 113.95 7.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 56.8 -159.98 8.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.533 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 2.5 3.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -122.64 169.55 10.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -119.7 173.63 6.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 t -142.18 131.1 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.525 HG22 HG13 ' A' ' 88' ' ' VAL . 56.4 mt -76.25 154.95 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.452 ' N ' HG22 ' A' ' 86' ' ' ILE . 4.1 t70 -89.52 43.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.525 HG13 HG22 ' A' ' 86' ' ' ILE . 18.9 m -111.36 -179.8 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -40.72 -64.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -97.26 133.37 24.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.611 0.719 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 81.02 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -65.49 124.63 22.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.4 p -97.88 145.94 25.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.404 ' SG ' ' CG2' ' A' ' 100' ' ' VAL . 13.1 p -145.71 160.79 41.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.813 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.1 p -80.97 -40.4 24.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -146.86 155.15 42.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.535 HD12 HG22 ' A' ' 21' ' ' THR . 19.4 mt -43.55 -38.61 3.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.89 -59.55 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.22 -49.9 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.404 ' CG2' ' SG ' ' A' ' 94' ' ' CYS . 71.6 t -45.78 -53.78 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 105' ' ' VAL . 73.2 t -44.75 -45.12 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -68.93 -48.75 62.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -38.93 -50.04 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.995 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.439 ' O ' HG22 ' A' ' 108' ' ' THR . 41.0 m-85 -63.77 -43.98 94.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 101' ' ' VAL . 70.2 t -49.23 -34.62 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.6 t -87.36 -56.65 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' A' ' 107' ' ' HIS . 2.3 t60 -43.58 -53.34 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 104' ' ' PHE . 9.6 t -47.12 136.43 8.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 110' ' ' LYS . 4.6 ptmm? -47.85 -43.75 28.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 111' ' ' ALA . 18.4 mtpp -122.95 123.37 40.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 110' ' ' LYS . . . -34.59 113.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.049 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.804 HD23 ' HB2' ' A' ' 46' ' ' LEU . 6.3 tp -91.12 157.57 17.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.427 HG13 ' HD2' ' A' ' 114' ' ' PRO . 95.1 t -106.04 133.02 20.41 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.651 0.739 . . . . 0.0 111.148 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.427 ' HD2' HG13 ' A' ' 113' ' ' VAL . 53.7 Cg_endo -69.77 165.33 31.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.342 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.52 ' CD2' HD21 ' A' ' 26' ' ' LEU . 60.0 t80 -111.11 133.77 53.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.1 tp -148.54 134.36 18.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.91 108.9 12.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.474 ' O ' HD12 ' A' ' 97' ' ' LEU . 38.3 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.942 0.401 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.555 HG22 HD12 ' A' ' 97' ' ' LEU . 1.6 p -143.65 152.33 55.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.594 0.711 . . . . 0.0 111.118 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 155.11 66.75 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.266 . . . . 0.0 112.358 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -54.64 -53.92 48.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.455 ' HA ' HD13 ' A' ' 116' ' ' LEU . 31.9 m -40.01 -41.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -45.48 152.5 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.82 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.18 154.85 36.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.442 ' CD ' ' HG3' ' A' ' 50' ' ' PRO . 27.6 mmtp -99.19 104.74 16.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 3.7 m -148.05 173.55 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.6 m -85.39 148.95 25.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.458 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 10.4 ptp85 -44.61 -46.13 9.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 22.8 mt -71.63 -39.2 70.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.671 ' HA ' HD23 ' A' ' 35' ' ' LEU . 44.6 mt-10 -60.47 -60.33 3.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -34.59 -37.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.45 -46.1 74.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.725 HD13 HH11 ' A' ' 39' ' ' ARG . 0.7 OUTLIER -57.98 -31.45 66.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 115' ' ' PHE . 2.5 mp -72.35 -32.82 66.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' A' ' 63' ' ' ARG . 75.8 mt -56.4 -41.74 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -88.33 -47.25 8.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.725 HH11 HD13 ' A' ' 35' ' ' LEU . 6.5 mtt85 -51.05 -49.08 61.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.58 ' CE2' HD11 ' A' ' 117' ' ' LEU . 8.8 m-85 -109.9 80.95 1.87 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 110.914 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -19.17 36.25 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 43' ' ' CYS . 16.7 pt-20 -83.46 -46.44 12.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 69.3 m -44.43 -56.11 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 149.28 -171.13 29.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -119.35 -41.86 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.72 90.91 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.82 HD13 HD11 ' A' ' 26' ' ' LEU . 1.4 pp -117.73 138.13 52.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mp -97.83 129.97 44.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 8.8 ptm180 -121.92 152.42 59.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.608 0.718 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.442 ' HG3' ' CD ' ' A' ' 27' ' ' LYS . 54.2 Cg_endo -69.74 126.67 13.59 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.863 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.9 t -138.29 140.32 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 m -111.8 160.51 17.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.9 t -121.75 136.6 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.17 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.0 m -120.06 122.1 40.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.4 p -128.85 142.83 50.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.155 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.527 ' HD3' HG22 ' A' ' 72' ' ' VAL . 8.4 tpp85 -103.8 88.21 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -112.28 129.21 56.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.4 ptm -90.86 136.11 33.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.888 ' O ' HG22 ' A' ' 69' ' ' THR . 73.5 t60 -129.42 159.32 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 41.69 33.02 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.51 41.04 99.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.439 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.888 HG22 ' O ' ' A' ' 66' ' ' HIS . 10.1 t -141.27 150.81 43.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 111.103 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -81.41 109.44 15.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.826 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.474 HG23 HG23 ' A' ' 69' ' ' THR . 67.8 t -139.71 135.49 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.527 HG22 ' HD3' ' A' ' 63' ' ' ARG . 83.9 t -105.99 138.53 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.177 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 12.3 tpt180 -117.83 150.14 39.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.435 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 22.4 p80 -127.77 132.25 49.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -108.91 162.15 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -129.3 153.64 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.4 t -130.0 120.99 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 79' ' ' ARG . 44.0 tttt -87.2 151.41 23.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.462 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 5.0 tmm_? -103.25 114.35 28.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -129.15 92.39 3.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.68 -157.47 39.92 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.522 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -6.05 17.67 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.51 162.38 19.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -99.86 163.02 12.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.6 t -140.68 111.59 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.7 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 73.0 mt -61.37 150.07 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -93.29 52.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.629 HG13 HG22 ' A' ' 86' ' ' ILE . 30.8 m -117.49 -179.35 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' VAL . 48.7 mt-10 -34.17 -59.04 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -110.99 139.04 21.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 85.96 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.586 ' CE2' ' HB2' ' A' ' 103' ' ' TYR . 78.9 t80 -70.82 114.06 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 86.4 p -92.74 141.99 27.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.494 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 29.2 p -143.78 160.72 40.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.0 p -85.36 -23.55 27.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.4 m -156.16 163.99 38.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.555 HD12 HG22 ' A' ' 21' ' ' THR . 13.8 mt -55.74 -46.05 77.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 97' ' ' LEU . 1.6 m-20 -37.15 -50.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.494 ' HB3' ' HB2' ' A' ' 94' ' ' CYS . . . -54.2 -42.59 69.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 97' ' ' LEU . 67.0 t -46.02 -53.77 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.782 ' O ' HG23 ' A' ' 105' ' ' VAL . 78.2 t -49.23 -42.4 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -67.84 -46.31 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.7 ' CD2' ' CD1' ' A' ' 86' ' ' ILE . 69.0 t80 -43.56 -53.58 5.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -63.66 -53.43 51.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 101' ' ' VAL . 89.7 t -40.27 -50.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.6 t -76.16 -44.07 39.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -44.48 -64.06 0.77 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.0 t -61.61 157.54 17.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.169 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 -21.7 23.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -91.15 162.12 14.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.22 81.1 5.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.88 163.63 7.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.3 t -124.44 128.07 25.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.618 0.723 . . . . 0.0 111.139 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 148.19 64.8 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.607 2.205 . . . . 0.0 112.386 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 36' ' ' LEU . 2.7 t80 -92.75 111.96 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 24' ' ' CYS . 57.6 tp -131.17 138.44 49.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.58 HD11 ' CE2' ' A' ' 40' ' ' TYR . 2.3 tt -132.3 105.91 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.529 ' O ' HD23 ' A' ' 117' ' ' LEU . 6.8 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.018 0.437 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 p -144.16 152.81 55.4 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.543 0.687 . . . . 0.0 111.104 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 143.66 51.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.614 2.21 . . . . 0.0 112.399 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.8 p -44.38 -52.71 7.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.409 ' SG ' HD13 ' A' ' 48' ' ' LEU . 15.8 p -42.87 -39.22 2.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -46.96 150.07 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.72 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.35 155.74 38.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -101.24 104.77 15.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.495 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 3.9 m -146.69 174.36 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 28' ' ' VAL . 4.9 t -81.12 -176.24 5.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 26.6 ptt180 -69.3 -49.84 52.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.41 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 26.6 mt -74.29 -39.08 63.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.01 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -50.86 -63.77 1.02 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.796 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -39.58 -40.87 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -59.51 -70.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.618 ' C ' HD12 ' A' ' 35' ' ' LEU . 1.1 pp -51.33 -35.38 37.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 tp -49.85 -24.73 2.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.53 ' CD2' HD23 ' A' ' 47' ' ' LEU . 56.2 mt -71.66 -64.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -58.64 -30.09 67.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' A' ' 35' ' ' LEU . 17.1 mmt180 -65.49 -51.04 62.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.4 ' CD1' ' HB3' ' A' ' 39' ' ' ARG . 21.6 m-85 -125.84 73.38 70.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.684 0.754 . . . . 0.0 110.932 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -36.37 10.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -63.96 -26.9 68.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.9 m -87.3 35.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.26 178.03 50.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.401 HD22 HD21 ' A' ' 112' ' ' LEU . 0.4 OUTLIER -130.04 -44.06 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.915 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.563 ' HB2' HD23 ' A' ' 112' ' ' LEU . 3.6 tp -58.04 89.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.796 HD11 ' HB1' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -112.33 135.81 52.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.856 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.666 ' HG ' HG22 ' A' ' 60' ' ' VAL . 6.5 mp -97.65 121.39 39.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 7.0 ptm180 -114.27 139.73 24.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.609 0.719 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.595 ' HA ' HG23 ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.76 153.44 68.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.749 2.299 . . . . 0.0 112.294 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.849 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.595 HG23 ' HA ' ' A' ' 50' ' ' PRO . 7.4 p -138.79 160.11 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 111.167 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.471 ' N ' HG22 ' A' ' 58' ' ' VAL . 24.6 t -120.6 162.12 20.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.666 HG22 ' HG ' ' A' ' 48' ' ' LEU . 94.3 t -120.55 132.84 69.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.6 m -110.09 114.67 28.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.086 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.1 p -128.39 128.6 44.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.456 ' HB2' HD13 ' A' ' 37' ' ' LEU . 34.5 ttt180 -120.23 107.74 13.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -116.06 153.58 31.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.6 tpt -82.95 106.92 15.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.723 ' O ' HG22 ' A' ' 69' ' ' THR . 35.2 m80 -123.02 145.41 48.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 m120 41.32 43.13 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.04 41.43 6.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.543 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.723 HG22 ' O ' ' A' ' 66' ' ' HIS . 15.0 t -140.12 164.92 28.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.817 0.341 . . . . 0.0 111.169 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -95.84 118.02 31.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.446 HG23 HG23 ' A' ' 69' ' ' THR . 89.0 t -137.61 134.22 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.439 HG22 ' HG3' ' A' ' 63' ' ' ARG . 94.2 t -118.82 116.11 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.423 ' NH1' ' HA ' ' A' ' 75' ' ' TYR . 2.0 tmt_? -104.61 146.91 28.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -126.21 114.33 18.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.423 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 66.3 m-85 -88.97 134.28 34.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 87' ' ' ASP . 5.6 ttpm? -99.9 151.66 21.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.8 t -129.61 137.11 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 79' ' ' ARG . 34.8 tttp -93.64 152.52 18.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.402 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 0.8 OUTLIER -110.83 102.4 10.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -124.23 96.04 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.57 -152.77 51.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -6.36 18.4 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -110.16 160.78 16.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -118.75 104.27 10.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.938 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.08 108.96 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.586 ' CG2' HG13 ' A' ' 88' ' ' VAL . 54.4 mt -52.02 148.0 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 1.6 t70 -94.79 45.85 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.586 HG13 ' CG2' ' A' ' 86' ' ' ILE . 20.4 m -108.59 176.55 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 88' ' ' VAL . 10.5 tp10 -34.68 -48.81 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -116.28 132.73 23.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.701 0.763 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 87.05 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.702 2.268 . . . . 0.0 112.366 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -76.58 102.51 6.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.2 p -87.02 121.87 30.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 31.1 p -123.93 -177.62 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.8 p -87.02 -43.42 12.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -149.71 178.53 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 98' ' ' ASP . 46.4 mt -57.08 -42.25 80.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' LEU . 43.6 t0 -37.88 -58.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.2 -57.25 7.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.3 t -38.17 -55.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.512 ' O ' HG23 ' A' ' 105' ' ' VAL . 57.4 t -43.85 -48.21 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -66.63 -39.13 88.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -53.18 -50.22 65.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -59.87 -47.08 87.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 101' ' ' VAL . 85.0 t -48.01 -59.09 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.195 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.5 t -61.26 -54.87 38.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -42.96 -54.42 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.844 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 109' ' ' LYS . 25.4 p -60.44 130.19 45.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 108' ' ' THR . 35.1 ttpt -36.75 -58.69 0.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.809 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.59 136.63 44.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.55 104.07 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.563 HD23 ' HB2' ' A' ' 46' ' ' LEU . 6.3 tp -76.12 161.88 28.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.456 HG13 ' HD2' ' A' ' 114' ' ' PRO . 53.7 t -103.31 133.58 20.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.631 0.729 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.456 ' HD2' HG13 ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.85 154.84 66.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.627 2.218 . . . . 0.0 112.294 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.402 ' HB3' ' CB ' ' A' ' 47' ' ' LEU . 2.6 t80 -98.48 115.21 28.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.4 tp -130.18 132.88 46.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 tp -137.02 109.65 7.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.819 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -163.35 123.7 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.38 . . . . 0.0 110.9 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -169.94 172.19 6.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.77 93.67 0.11 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.551 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -142.65 116.05 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.6 m -144.31 152.67 41.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.826 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.6 148.24 2.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 10' ' ' LEU . 68.7 mt-10 -53.34 174.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.466 ' O ' ' C ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -37.2 -30.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 9' ' ' VAL . 13.2 tp 33.16 46.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.61 2.93 28.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.4 32.48 4.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -100.59 134.28 43.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -135.2 151.26 50.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -155.46 140.46 17.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 17' ' ' ARG . 30.1 ptt180 -114.25 -15.19 12.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 16' ' ' ARG . 15.3 ptp180 34.85 45.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.08 63.52 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.669 ' H ' HD12 ' A' ' 19' ' ' LEU . 5.0 mp -62.61 -68.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.485 ' HG3' HG23 ' A' ' 21' ' ' THR . 6.1 pt-20 -106.76 -34.87 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 20' ' ' GLU . 1.3 p -100.47 152.24 37.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 111.094 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.57 38.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.628 2.219 . . . . 0.0 112.364 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -40.68 -48.93 3.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.6 p -41.14 -41.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.403 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 40.6 t80 -55.24 155.07 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.869 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.43 151.47 30.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.93 104.79 17.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.2 m -152.13 168.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.197 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -95.23 150.87 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 31' ' ' LEU . 14.4 ttt180 -40.36 -63.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' ARG . 8.4 mp -37.22 -36.53 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' GLN . 20.1 mm-40 -84.16 -56.68 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.461 ' O ' HD21 ' A' ' 47' ' ' LEU . . . -39.42 -27.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . 5.2 tm0? -80.14 -66.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.944 HD12 ' N ' ' A' ' 36' ' ' LEU . 2.7 pp -52.56 -46.03 66.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.944 ' N ' HD12 ' A' ' 35' ' ' LEU . 19.6 mt -40.72 -26.69 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.615 HD13 ' HB2' ' A' ' 63' ' ' ARG . 31.4 mt -73.05 -58.31 3.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 3.8 pt-20 -62.68 -30.07 71.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.426 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 11.3 mtp85 -68.81 -52.37 30.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -120.8 78.27 30.56 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.657 0.741 . . . . 0.0 110.91 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -44.34 2.12 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.681 2.254 . . . . 0.0 112.26 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -50.65 -31.01 14.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 60.4 m -86.1 38.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.0 177.21 2.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' O ' ' CD2' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -122.78 -14.03 7.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.882 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.524 HD21 HG13 ' A' ' 101' ' ' VAL . 8.1 tp -79.17 103.86 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.869 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -131.06 159.66 36.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.593 ' N ' HD12 ' A' ' 47' ' ' LEU . 6.5 mp -118.74 131.87 56.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 49' ' ' ARG . 3.3 ppt_? -129.31 143.83 50.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.533 0.682 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.403 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.8 123.45 10.1 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.642 2.228 . . . . 0.0 112.349 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.7 m -63.86 -179.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.61 -51.61 0.65 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.418 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -159.73 176.68 11.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.34 -74.28 0.21 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -130.56 177.64 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.065 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.41 121.79 42.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.67 -179.08 21.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.397 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.7 p -112.63 156.59 13.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.796 0.332 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -105.15 161.12 14.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.445 HG12 HG23 ' A' ' 62' ' ' THR . 71.7 t -121.44 108.97 23.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.099 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.643 HG23 ' NE2' ' A' ' 74' ' ' HIS . 4.6 m -85.17 119.23 25.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.445 HG23 HG12 ' A' ' 60' ' ' VAL . 66.5 p -135.01 123.15 22.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.615 ' HB2' HD13 ' A' ' 37' ' ' LEU . 30.1 ttp180 -108.01 93.37 4.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -104.44 156.97 17.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 tpt -67.46 127.29 32.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.808 ' O ' HG22 ' A' ' 69' ' ' THR . 2.0 t60 -136.89 123.9 21.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 43.08 26.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.27 42.41 83.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.808 HG22 ' O ' ' A' ' 66' ' ' HIS . 7.6 t -134.4 160.82 36.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 111.206 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -96.11 103.78 15.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.4 p -145.03 143.11 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.405 HG23 ' HB2' ' A' ' 63' ' ' ARG . 1.9 p -115.02 146.76 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -117.34 143.55 45.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.643 ' NE2' HG23 ' A' ' 61' ' ' THR . 8.3 m-70 -120.84 104.98 10.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.802 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -79.96 160.81 25.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 87' ' ' ASP . 35.7 tptt -117.23 149.12 40.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.961 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.5 t -125.19 119.15 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -77.81 159.75 28.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -121.87 92.38 3.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -112.97 88.42 2.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.07 -154.05 40.56 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 3.37 2.78 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.747 2.298 . . . . 0.0 112.368 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -118.76 166.09 13.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -125.82 103.5 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.8 t -72.57 141.16 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.3 mt -92.86 133.06 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 76' ' ' LYS . 23.1 p-10 -73.41 77.49 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 89' ' ' GLU . 15.3 m -143.66 -176.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 88' ' ' VAL . 2.6 mp0 -36.43 -64.68 0.32 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -108.03 144.03 28.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.612 0.72 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 82.3 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.745 2.296 . . . . 0.0 112.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -71.61 110.86 6.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.8 p -86.04 134.55 33.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.4 p -122.63 -176.39 3.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.6 t -113.4 -18.46 12.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 t -161.07 171.91 17.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.87 -38.47 88.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -48.54 -53.85 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -43.01 -56.68 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.3 t -42.09 -58.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.563 ' O ' HG23 ' A' ' 105' ' ' VAL . 98.3 t -46.54 -40.26 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.194 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -72.08 -58.44 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.525 ' CD1' ' C ' ' A' ' 103' ' ' TYR . 1.5 t80 -41.9 -42.33 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -63.24 -41.55 99.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 101' ' ' VAL . 91.3 t -57.66 -53.57 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.6 t -69.29 -33.96 73.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -56.22 -61.1 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.815 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.7 p -54.64 154.71 4.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -79.87 -2.07 41.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -131.35 142.08 50.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.55 96.27 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.058 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.0 mt -76.63 171.2 15.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 114' ' ' PRO . 93.7 t -129.95 136.69 29.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.725 0.774 . . . . 0.0 111.12 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.57 ' HD2' HG13 ' A' ' 113' ' ' VAL . 54.3 Cg_endo -69.76 162.44 42.05 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 116' ' ' LEU . 5.7 t80 -110.54 140.95 44.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.45 HD12 ' H ' ' A' ' 117' ' ' LEU . 56.6 tp -149.67 155.42 40.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.45 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -150.19 111.44 4.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -146.28 173.14 12.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.855 0.36 . . . . 0.0 110.918 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 t -122.04 129.67 52.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.41 128.58 7.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.426 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 m -106.88 149.92 26.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.4 m -143.72 176.88 8.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.789 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.63 43.74 1.61 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -69.97 -4.59 21.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.7 t -100.24 -25.34 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 tp -68.91 94.33 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 13' ' ' GLU . . . -136.15 173.56 11.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER 34.15 33.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 11' ' ' ALA . 34.0 mm-40 -94.6 -17.64 22.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -101.5 18.76 19.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.01 144.45 25.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 60.03 24.97 14.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -47.8 121.22 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.0 57.64 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.715 ' H ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -74.05 -42.03 60.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -49.72 -38.92 35.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -112.54 152.38 44.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 111.155 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 167.14 25.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.761 2.307 . . . . 0.0 112.366 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 m -67.59 -46.01 73.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 p -50.54 -31.03 14.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -57.93 151.72 17.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.938 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.41 151.77 31.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.41 104.98 17.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 36' ' ' LEU . 4.4 m -150.88 175.24 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 t -80.9 160.11 24.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -49.0 -47.92 43.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.9 mt -70.21 -50.14 43.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 33' ' ' ALA . 40.2 mm-40 -46.17 -63.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.719 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -37.54 -37.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -64.58 0.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.802 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -50.7 -27.38 6.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 33' ' ' ALA . 12.2 mt -58.88 -41.5 87.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.653 HD21 HD23 ' A' ' 47' ' ' LEU . 12.3 mt -58.41 -62.68 1.67 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 9.6 pt-20 -49.12 -42.03 37.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 14.2 mmt180 -58.63 -51.5 69.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -117.61 79.79 12.88 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.643 0.735 . . . . 0.0 110.919 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -15.8 37.31 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.615 2.21 . . . . 0.0 112.375 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -88.72 -25.85 22.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.6 m -60.74 -52.56 64.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.4 -178.11 37.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.26 -42.53 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.635 ' HA ' HG22 ' A' ' 62' ' ' THR . 6.7 tp -77.3 102.86 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.938 HD13 HD11 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -127.38 131.83 50.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 48' ' ' LEU . 5.4 mp -98.93 119.66 38.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -112.35 149.42 41.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.674 0.749 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 146.09 59.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.653 2.235 . . . . 0.0 112.394 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -89.8 159.41 17.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.85 169.21 0.54 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -44.11 -56.93 3.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.823 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.35 79.62 0.53 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.525 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -174.22 159.31 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 111.101 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -111.26 -43.52 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -95.89 -170.15 35.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.43 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.0 m -120.21 155.55 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.837 0.351 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.3 m -90.48 146.03 24.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.54 HG12 HG23 ' A' ' 62' ' ' THR . 50.0 t -117.29 112.94 41.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.183 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 64.1 m -97.54 108.57 21.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.635 HG22 ' HA ' ' A' ' 46' ' ' LEU . 44.5 p -125.19 132.48 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.8 ptt85 -137.96 152.16 48.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.89 165.5 27.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.1 tpt -91.05 124.03 34.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.443 ' C ' ' OD1' ' A' ' 67' ' ' ASN . 2.0 t60 -148.82 140.75 23.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.443 ' OD1' ' C ' ' A' ' 66' ' ' HIS . 3.8 p-10 41.79 29.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 55.63 41.4 81.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.452 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.73 HG23 HG23 ' A' ' 71' ' ' VAL . 1.1 t -125.52 163.78 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 111.149 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -102.45 107.03 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.73 HG23 HG23 ' A' ' 69' ' ' THR . 59.1 t -124.21 133.11 70.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.5 t -129.5 111.37 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -98.59 152.31 19.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -133.22 116.63 16.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -93.51 161.87 14.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -131.09 143.27 50.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 98.0 t -129.37 122.04 54.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.695 ' HB2' HG23 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -73.14 168.21 19.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -121.87 100.27 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -116.94 87.72 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.82 -153.21 46.89 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.436 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.67 -3.04 11.14 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.229 . . . . 0.0 112.413 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -109.0 164.73 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.464 ' CE2' ' HG ' ' A' ' 97' ' ' LEU . 36.3 m-85 -120.55 117.27 27.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.695 HG23 ' HB2' ' A' ' 78' ' ' LYS . 30.1 m -101.06 113.55 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.522 HG22 HG13 ' A' ' 88' ' ' VAL . 83.1 mt -62.95 154.7 5.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.183 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.459 ' N ' HG22 ' A' ' 86' ' ' ILE . 18.5 t0 -90.16 41.29 1.04 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.522 HG13 HG22 ' A' ' 86' ' ' ILE . 16.8 m -107.81 -175.97 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 88' ' ' VAL . 20.8 tt0 -36.52 -65.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -104.85 142.97 25.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.61 0.719 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 85.05 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.71 2.274 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -60.64 98.55 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.6 p -88.86 112.36 23.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.411 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . 27.6 p -120.18 -178.77 3.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 75.4 p -79.36 -57.54 3.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.4 m -139.38 177.5 7.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.464 ' HG ' ' CE2' ' A' ' 84' ' ' TYR . 39.2 mt -51.7 -47.8 63.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -36.0 -49.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.952 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 94' ' ' CYS . . . -57.29 -53.28 59.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.2 t -46.33 -49.05 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.153 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 105' ' ' VAL . 82.6 t -53.53 -45.45 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -68.71 -43.82 75.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -49.27 -46.14 45.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 105' ' ' VAL . 30.5 m-85 -62.28 -59.82 4.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 101' ' ' VAL . 90.8 t -36.72 -49.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.148 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.9 t -74.73 -49.56 20.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -42.97 -61.39 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.2 t -51.26 146.4 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -74.01 -12.93 60.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -124.92 125.27 43.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.33 100.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.5 mt -80.19 138.3 36.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.26 126.11 49.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 111.112 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 150.03 67.77 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.658 2.239 . . . . 0.0 112.351 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 8.0 t80 -97.11 127.02 42.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.0 tp -135.46 130.51 34.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.9 tp -128.59 114.0 16.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.864 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -134.66 157.34 46.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -172.45 170.09 5.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.09 102.04 0.16 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.0 t -104.72 101.38 11.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.1 p -132.12 173.47 11.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.806 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.95 -28.6 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -74.63 -2.98 28.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 81.1 t -106.75 -18.87 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.106 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tp -96.17 60.45 2.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.69 -1.42 21.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.07 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.07 5.81 48.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -83.51 -18.4 38.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -115.77 10.27 15.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.31 127.4 31.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -116.33 19.68 14.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -102.51 50.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -112.53 49.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.0 mt -75.58 -66.02 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -38.69 -61.41 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -124.46 149.11 60.56 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.545 0.688 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 179.12 3.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.451 ' C ' HD13 ' A' ' 116' ' ' LEU . 7.1 t -77.61 -33.81 53.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.9 p -59.7 -36.98 77.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.824 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -55.45 154.92 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.987 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.34 152.68 32.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -97.29 104.86 16.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 m -151.9 174.63 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.9 m -90.79 165.06 13.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.445 ' CD ' ' H ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -48.61 -56.12 9.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 mt -53.69 -46.8 70.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -59.13 -58.51 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.497 ' O ' HD21 ' A' ' 47' ' ' LEU . . . -43.59 -38.57 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.422 ' HA ' HD12 ' A' ' 37' ' ' LEU . 3.6 tt0 -75.73 -56.91 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.799 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.38 -26.05 28.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 mt -68.91 -27.37 65.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 34' ' ' GLN . 13.0 mt -70.71 -36.52 73.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -79.53 -28.7 41.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -74.69 -40.6 61.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -130.69 74.52 80.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.607 0.718 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 -36.6 10.26 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.607 2.205 . . . . 0.0 112.296 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -66.38 -45.7 79.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.8 t -45.92 -47.45 16.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.52 178.11 36.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.586 HD21 HD11 ' A' ' 112' ' ' LEU . 2.1 p-10 -124.53 -28.21 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.406 ' HB2' ' CD2' ' A' ' 112' ' ' LEU . 7.6 tp -87.36 99.86 12.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.987 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -122.96 137.74 54.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.1 mp -98.71 119.37 37.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.6 ptt85 -115.19 147.17 37.9 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.66 0.743 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 139.26 39.99 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.77 2.313 . . . . 0.0 112.289 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.1 p -132.02 89.3 2.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.73 -83.68 0.36 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -102.54 -64.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.75 -58.2 0.14 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.542 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.65 -47.28 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.25 94.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.459 ' HA2' ' CG1' ' A' ' 77' ' ' VAL . . . 67.39 120.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.435 ' H ' HG12 ' A' ' 77' ' ' VAL . 29.7 m -125.5 162.2 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 0.0 111.074 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t -103.51 124.89 49.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.473 HG21 ' HE2' ' A' ' 104' ' ' PHE . 98.5 t -90.12 109.6 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.7 m -99.99 111.52 23.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.102 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.4 p -114.09 150.61 33.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 ttt-85 -118.12 85.24 2.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -98.15 162.81 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -107.41 127.41 53.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -150.06 153.38 36.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.9 t30 50.72 26.02 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.47 30.05 67.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.7 t -140.56 154.62 46.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.824 0.345 . . . . 0.0 111.131 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 70' ' ' HIS . 26.4 p-80 -76.84 119.64 20.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.5 p -128.66 143.83 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.2 t -133.33 121.79 43.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -124.19 154.28 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -118.07 162.2 18.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -137.25 108.56 6.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 3.3 ttmm -87.01 120.39 28.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 86' ' ' ILE . 9.4 p -90.28 132.95 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.09 167.55 9.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -126.98 87.85 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -118.04 91.33 3.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.5 -156.32 46.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 0.93 4.96 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.75 149.0 48.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -102.68 157.95 16.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.645 ' O ' HG12 ' A' ' 85' ' ' VAL . 7.0 t -128.71 91.26 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.833 HD11 HG13 ' A' ' 100' ' ' VAL . 2.8 mt -42.27 152.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.459 ' CG ' ' O ' ' A' ' 76' ' ' LYS . 41.8 p-10 -99.18 76.26 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 89' ' ' GLU . 5.9 m -136.66 -177.35 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' VAL . 4.3 tp10 -34.44 -59.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -111.58 143.1 27.87 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.532 0.682 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 88.96 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.365 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 103' ' ' TYR . 68.8 t80 -82.02 118.39 22.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 99.4 p -100.1 159.99 14.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.476 ' SG ' ' CE2' ' A' ' 92' ' ' PHE . 1.8 m -164.76 147.97 8.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.8 p -72.9 -47.11 48.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.8 m -124.38 161.55 25.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 100' ' ' VAL . 12.2 mt -60.99 -44.55 97.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -37.29 -49.45 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.54 96.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.833 HG13 HD11 ' A' ' 86' ' ' ILE . 69.5 t -52.09 -42.16 34.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.18 -43.43 93.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -60.99 -44.26 97.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.513 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 21.1 t80 -42.24 -52.27 4.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.473 ' HE2' HG21 ' A' ' 60' ' ' VAL . 34.9 m-85 -59.85 -46.8 88.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 84.8 t -43.58 -47.8 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.4 t -78.46 -45.66 21.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -52.06 -67.27 0.27 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.582 HG21 HD22 ' A' ' 112' ' ' LEU . 65.9 p -41.41 124.52 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.202 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 109' ' ' LYS . 2.2 tmtm? -56.32 -47.83 77.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.5 137.88 33.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -43.99 120.16 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.586 HD11 HD21 ' A' ' 45' ' ' ASN . 5.1 tp -106.2 137.41 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.4 HG13 ' HD2' ' A' ' 114' ' ' PRO . 76.9 t -107.48 132.22 21.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.646 0.736 . . . . 0.0 111.127 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.4 ' HD2' HG13 ' A' ' 113' ' ' VAL . 54.4 Cg_endo -69.69 161.89 44.18 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.764 2.309 . . . . 0.0 112.377 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 6.6 t80 -110.3 124.75 52.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.451 HD13 ' C ' ' A' ' 23' ' ' SER . 24.9 tp -138.19 131.76 30.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.588 HD23 ' O ' ' A' ' 118' ' ' ASP . 4.9 tt -135.02 106.18 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.588 ' O ' HD23 ' A' ' 117' ' ' LEU . 2.4 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -140.29 148.08 40.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.83 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -165.42 154.37 12.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.867 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.74 91.95 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.449 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 t -153.33 155.47 36.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.389 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -168.17 139.89 2.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.68 48.87 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.442 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -65.29 -7.24 12.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 9' ' ' VAL . 19.1 m -139.5 112.05 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.442 ' CD2' ' HG2' ' A' ' 13' ' ' GLU . 2.1 tt -141.46 107.37 5.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.55 3.09 3.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.05 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.13 16.81 1.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.442 ' HG2' ' CD2' ' A' ' 10' ' ' LEU . 2.3 pt-20 -114.05 137.69 51.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -173.06 165.36 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.619 ' HB1' ' HD3' ' A' ' 17' ' ' ARG . . . -124.06 91.96 3.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -95.39 20.37 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.619 ' HD3' ' HB1' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -84.61 26.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.38 73.86 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.067 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -124.0 -37.16 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.7 -47.66 63.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -101.84 150.28 37.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 111.151 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 160.46 49.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.632 2.221 . . . . 0.0 112.347 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.5 m -67.37 -33.28 74.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.7 p -64.57 -20.23 66.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 24.8 t80 -73.7 153.71 39.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.681 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.41 153.17 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.941 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -95.33 105.07 16.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.77 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 2.8 m -151.3 158.4 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -68.47 -179.92 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -66.08 -32.78 74.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 mt -89.46 -50.82 5.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -44.4 -32.19 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.77 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . . . -77.43 -50.47 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -52.54 -47.05 66.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.726 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -66.13 -37.0 84.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.94 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 35' ' ' LEU . 10.4 mt -55.57 -20.01 11.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.969 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.548 HD21 HD23 ' A' ' 47' ' ' LEU . 62.9 mt -80.41 -65.42 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -51.2 -27.45 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -74.33 -44.77 51.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -126.33 80.48 68.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.722 0.773 . . . . 0.0 110.947 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -25.83 28.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -77.62 -36.25 51.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.8 m -54.07 -38.9 65.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.03 172.02 16.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.491 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.543 HD21 HD11 ' A' ' 112' ' ' LEU . 5.9 p-10 -115.0 -36.95 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 0.0 110.904 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.03 108.17 11.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.681 HD13 HD11 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -133.08 132.08 41.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.7 mp -98.1 114.09 26.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -112.71 146.69 35.55 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.594 0.711 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 129.6 17.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.351 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -137.8 112.93 9.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.7 -125.18 1.81 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.91 41.89 3.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.66 -97.3 0.78 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -121.3 38.71 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -118.99 44.02 2.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.61 135.27 3.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.44 HG22 ' N ' ' A' ' 59' ' ' SER . 5.1 p -125.47 153.92 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 111.128 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.44 ' N ' HG22 ' A' ' 58' ' ' VAL . 48.0 t -124.19 147.69 47.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.43 129.87 59.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.4 m -117.99 110.32 17.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.8 p -114.53 136.92 52.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.174 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -142.71 111.86 6.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.417 ' OE1' ' C ' ' A' ' 64' ' ' GLN . 1.0 OUTLIER -141.24 132.34 26.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.0 ttm -41.98 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.619 ' O ' HG22 ' A' ' 69' ' ' THR . 3.8 t-160 -122.37 126.73 48.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.783 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 62.91 26.8 15.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.37 30.51 77.78 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.477 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 66' ' ' HIS . 12.4 t -141.37 163.65 32.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 0.0 111.143 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.422 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 47.9 p-80 -92.38 101.31 13.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.3 m -107.3 136.43 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.9 t -134.18 106.68 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -109.33 176.97 4.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -145.1 134.2 22.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -109.22 138.28 45.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -93.54 164.67 13.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.4 t -133.1 119.5 36.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -78.65 144.84 35.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -106.14 98.35 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -123.38 74.69 1.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 82' ' ' PRO . . . 78.1 -148.54 33.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 81' ' ' GLY . 53.6 Cg_endo -69.74 -11.22 30.4 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.736 2.291 . . . . 0.0 112.355 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -99.99 152.25 20.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -117.8 97.03 5.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 91' ' ' PRO . 43.3 t -73.93 127.36 35.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.643 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 43.8 mt -73.13 158.92 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.498 ' N ' HG22 ' A' ' 86' ' ' ILE . 4.1 t70 -87.34 42.91 1.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 90' ' ' GLN . 20.6 m -103.16 170.45 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' VAL . 23.1 mt-10 -38.47 -47.25 1.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.706 ' O ' HG23 ' A' ' 88' ' ' VAL . 24.0 mt-30 -113.13 140.9 24.79 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.661 0.743 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.452 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 54.1 Cg_endo -69.67 88.33 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.268 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -79.31 112.03 16.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.2 t -86.65 150.07 24.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.558 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 15.4 p -144.65 163.84 32.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.5 p -73.09 -40.54 64.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.8 m -158.09 175.14 14.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 98' ' ' ASP . 21.2 mt -49.53 -46.07 48.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 97' ' ' LEU . 17.1 t70 -36.5 -59.1 0.68 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 94' ' ' CYS . . . -47.84 -55.72 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 75.2 t -39.48 -43.41 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 105' ' ' VAL . 91.4 t -62.0 -37.86 79.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 99' ' ' ALA . 72.7 m-80 -76.72 -50.56 13.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.643 ' CD2' ' CD1' ' A' ' 86' ' ' ILE . 40.2 t80 -39.95 -54.42 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.504 ' O ' HG22 ' A' ' 108' ' ' THR . 42.0 m-85 -58.5 -57.1 14.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 101' ' ' VAL . 95.6 t -38.29 -56.26 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 t -67.28 -48.82 66.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -41.97 -64.17 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 104' ' ' PHE . 3.3 t -59.74 139.8 56.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.43 ' HE2' ' C ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -49.95 -70.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -62.71 150.21 41.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.971 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.24 96.44 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.543 HD11 HD21 ' A' ' 45' ' ' ASN . 9.4 tp -63.5 155.07 30.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 44.1 t -125.31 128.01 24.84 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.693 0.759 . . . . 0.0 111.129 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 158.5 56.82 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.647 2.232 . . . . 0.0 112.348 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 3.2 t80 -106.41 129.05 54.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.436 HD12 ' H ' ' A' ' 117' ' ' LEU . 57.7 tp -136.14 151.32 49.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.436 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -138.53 106.33 5.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 p -169.82 141.98 2.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.883 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 m -154.66 176.83 11.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.52 157.13 19.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.459 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.2 p -103.2 173.93 6.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 p -132.2 151.33 51.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.63 -50.78 0.88 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -64.12 -6.63 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.839 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t -101.69 -26.65 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.51 HD22 ' CG ' ' A' ' 13' ' ' GLU . 4.7 tt -54.15 99.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.7 5.13 13.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 pttm -82.04 38.94 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.51 ' CG ' HD22 ' A' ' 10' ' ' LEU . 1.7 pp20? -154.31 126.98 8.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -150.32 161.68 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.38 93.81 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -113.05 -16.53 12.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.66 43.11 28.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.19 49.55 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.695 ' H ' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -82.33 -32.18 29.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -58.38 -43.24 88.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.556 HG22 HD12 ' A' ' 97' ' ' LEU . 2.3 p -88.36 152.0 49.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 111.183 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 144.98 55.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.314 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.0 m -46.71 -50.26 18.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 p -42.98 -30.09 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -58.89 151.9 20.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.798 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.677 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.38 152.43 32.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.943 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -97.28 104.6 16.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.2 m -150.02 174.3 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 m -81.59 170.49 15.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.927 ' HG3' HD12 ' A' ' 31' ' ' LEU . 5.8 ptp180 -61.24 -33.57 73.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.927 HD12 ' HG3' ' A' ' 30' ' ' ARG . 5.0 mp -83.69 -44.99 13.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.5 -43.74 62.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.437 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -60.37 -35.31 75.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' OE1' ' NH2' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -66.49 -55.3 16.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.65 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -62.82 -36.52 83.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.962 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 36' ' ' LEU . 9.7 mt -47.17 -26.05 1.05 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.428 HD13 ' CB ' ' A' ' 63' ' ' ARG . 70.8 mt -70.21 -59.16 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 9.5 pt-20 -56.56 -37.77 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.45 ' HD2' HD11 ' A' ' 35' ' ' LEU . 52.4 mtt-85 -66.67 -48.89 67.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 115' ' ' PHE . 11.9 m-85 -120.7 73.08 22.75 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.727 . . . . 0.0 110.859 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -40.17 5.71 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 43' ' ' CYS . 34.6 mt-10 -65.75 -56.93 9.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 42' ' ' GLU . 56.7 m -34.28 -52.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.23 -175.72 44.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.426 ' CG ' ' H ' ' A' ' 63' ' ' ARG . 8.4 t30 -131.5 -40.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.525 HD12 ' CG2' ' A' ' 62' ' ' THR . 6.4 tp -76.95 93.44 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.727 HD12 ' N ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -109.43 165.26 11.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.727 ' N ' HD12 ' A' ' 47' ' ' LEU . 5.4 mp -129.79 112.19 13.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.405 ' HD2' ' C ' ' A' ' 49' ' ' ARG . 5.0 ppt_? -106.02 144.32 28.7 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.64 0.733 . . . . 0.0 110.857 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 139.21 39.72 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.718 2.279 . . . . 0.0 112.309 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.4 p -58.64 147.43 32.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.78 -45.31 39.82 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -43.13 -47.43 6.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.9 0.381 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.36 -73.28 0.46 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.538 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -129.52 41.95 3.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.333 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -124.52 42.55 3.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.8 161.36 11.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.51 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.0 t -124.37 145.71 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -102.4 147.29 26.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.7 t -114.2 111.51 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.181 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.2 m -102.0 129.07 48.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.525 ' CG2' HD12 ' A' ' 46' ' ' LEU . 70.2 p -141.41 134.83 29.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.557 ' HB2' HG22 ' A' ' 72' ' ' VAL . 14.6 ttm180 -126.09 96.57 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.414 ' NE2' HD11 ' A' ' 112' ' ' LEU . 34.7 mt-30 -97.52 151.2 20.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.975 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.8 tpt -75.96 107.27 8.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -136.11 150.2 49.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 46.69 32.61 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.86 31.59 10.39 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.543 HG23 HG23 ' A' ' 71' ' ' VAL . 14.9 t -140.63 135.58 31.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.741 0.305 . . . . 0.0 111.129 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -65.71 115.31 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.543 HG23 HG23 ' A' ' 69' ' ' THR . 86.0 t -131.72 134.15 60.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.557 HG22 ' HB2' ' A' ' 63' ' ' ARG . 89.7 t -114.08 131.22 66.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -110.92 172.65 6.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -144.66 148.73 34.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -138.15 152.46 48.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -114.11 147.73 38.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.8 t -129.14 104.81 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -69.14 154.38 42.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 79' ' ' ARG . 3.1 tmm_? -113.55 108.62 17.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -125.73 100.24 6.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.94 -157.32 52.39 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -1.87 9.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.607 2.204 . . . . 0.0 112.368 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -122.43 166.15 15.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.4 157.98 22.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.6 t -133.14 121.38 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.061 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.508 HG22 HG13 ' A' ' 88' ' ' VAL . 56.8 mt -70.55 154.48 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.046 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.439 ' N ' HG22 ' A' ' 86' ' ' ILE . 5.8 t0 -91.14 45.6 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.508 HG13 HG22 ' A' ' 86' ' ' ILE . 11.5 m -104.94 -176.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.9 -50.27 3.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.479 ' O ' HG23 ' A' ' 88' ' ' VAL . 85.9 mt-30 -119.99 141.88 32.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.719 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 93.02 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.743 2.295 . . . . 0.0 112.347 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -77.45 112.69 14.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.0 p -87.21 132.26 33.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.799 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 21.2 p -129.37 176.62 7.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 96' ' ' SER . 7.7 t -104.07 -42.3 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.423 ' N ' HG23 ' A' ' 95' ' ' THR . 74.8 m -132.37 170.41 15.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.556 HD12 HG22 ' A' ' 21' ' ' THR . 13.1 mt -68.12 -44.29 76.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -37.09 -60.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.795 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -45.33 -58.9 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 99.4 t -38.43 -57.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 105' ' ' VAL . 58.6 t -45.06 -42.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -74.81 -38.42 62.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.424 ' CD1' ' CD1' ' A' ' 86' ' ' ILE . 33.2 t80 -52.98 -69.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 105' ' ' VAL . 13.3 m-85 -38.39 -58.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 101' ' ' VAL . 87.4 t -35.61 -46.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.08 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.7 t -81.82 -39.39 24.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -41.59 -70.09 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.793 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.614 HG23 ' N ' ' A' ' 109' ' ' LYS . 9.0 t -88.7 -52.23 5.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.614 ' N ' HG23 ' A' ' 108' ' ' THR . 21.6 mmmt -93.56 -175.29 3.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.76 -34.64 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -154.13 106.34 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.533 HD11 ' HG3' ' A' ' 109' ' ' LYS . 10.3 mt -122.08 -176.89 3.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 89.3 t -127.97 125.12 23.46 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 111.08 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.4 65.07 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 40' ' ' TYR . 9.7 t80 -92.92 112.93 25.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.6 tp -114.1 143.05 45.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 tp -140.71 118.24 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.422 ' OD1' ' C ' ' A' ' 118' ' ' ASP . 2.5 p30 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 m -98.04 109.39 22.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -57.37 -50.93 71.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.27 150.66 8.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.491 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -154.99 159.7 40.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.362 . . . . 0.0 110.863 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -168.0 -179.54 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.93 -37.54 1.42 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -66.88 -7.24 20.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.897 0.379 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.427 HG22 ' H ' ' A' ' 9' ' ' VAL . 1.3 m -74.51 -32.55 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.32 113.71 3.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 13' ' ' GLU . . . -106.02 123.12 47.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER 32.04 36.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 11' ' ' ALA . 36.0 mm-40 -91.96 -51.48 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -131.14 149.57 52.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.31 123.78 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -84.9 21.82 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -70.46 94.42 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.66 45.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.2 mt -84.56 -53.48 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -43.66 -39.55 3.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.959 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -134.37 147.4 63.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.555 0.693 . . . . 0.0 111.202 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.37 66.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.294 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.0 m -48.8 -54.08 16.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.1 p -38.58 -43.58 0.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -44.5 156.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.032 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.48 151.57 30.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -97.46 104.61 16.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.497 HG11 HD11 ' A' ' 36' ' ' LEU . 5.0 m -151.66 168.58 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 m -75.36 -176.72 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.832 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.5 ttt-85 -62.5 -56.01 22.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 34' ' ' GLN . 13.0 mt -71.86 -47.63 51.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -40.48 -42.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.464 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . . . -66.42 -38.28 87.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' LEU . 10.4 tt0 -65.18 -54.11 34.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.64 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -59.45 -33.77 71.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.497 HD11 HG11 ' A' ' 28' ' ' VAL . 12.5 mt -56.17 -21.03 20.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.792 HD13 ' HB2' ' A' ' 63' ' ' ARG . 82.8 mt -76.48 -63.43 1.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -57.09 -24.05 51.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -78.05 -49.85 13.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -119.62 78.98 21.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.666 0.746 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -46.43 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.73 2.287 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' CYS . 12.4 mm-40 -52.9 -58.88 5.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLU . 77.5 m -37.46 -48.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.77 174.65 22.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.486 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.428 HD21 HD23 ' A' ' 112' ' ' LEU . 0.1 OUTLIER -115.89 -35.9 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.0 tp -72.12 93.75 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.032 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -120.35 140.71 50.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 47' ' ' LEU . 6.1 mp -103.43 105.2 15.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.413 ' HD2' ' C ' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -104.31 143.62 27.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.636 0.731 . . . . 0.0 110.892 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 136.58 33.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.272 . . . . 0.0 112.303 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.4 m -51.57 179.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.38 -85.66 0.9 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -131.28 110.37 11.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.71 -43.31 1.27 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.544 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.04 -49.72 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 62.26 40.34 11.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -139.11 -115.64 1.31 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.2 t -145.05 143.49 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -129.96 147.26 51.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.799 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.1 t -107.45 112.47 40.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.5 m -96.9 114.05 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.3 p -120.75 123.12 41.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.792 ' HB2' HD13 ' A' ' 37' ' ' LEU . 11.3 tpt85 -84.84 86.23 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -105.39 167.56 9.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.6 tpt -102.17 124.75 48.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.515 ' O ' HG22 ' A' ' 69' ' ' THR . 4.1 t-80 -134.7 143.9 47.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 42.59 33.55 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.87 39.83 40.79 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.467 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 66' ' ' HIS . 6.1 t -138.12 148.81 45.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 111.12 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' A' ' 70' ' ' HIS . 55.1 p-80 -72.82 107.6 5.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.6 p -148.74 139.22 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.43 HG22 ' HD2' ' A' ' 63' ' ' ARG . 96.2 t -108.43 142.62 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -111.08 161.06 16.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -145.27 110.73 5.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.78 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -83.98 124.7 31.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.995 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -82.15 144.52 30.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.2 t -118.17 106.48 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 79' ' ' ARG . 5.6 tmtm? -69.04 145.67 53.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.445 ' N ' ' HD3' ' A' ' 78' ' ' LYS . 0.7 OUTLIER -104.97 105.62 15.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.453 ' O ' ' CD ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -130.64 93.43 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.65 -156.06 53.34 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 3.07 3.01 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.698 2.266 . . . . 0.0 112.275 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 94' ' ' CYS . 0.0 OUTLIER -123.45 171.62 9.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.89 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -126.29 161.04 28.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 85.6 t -130.19 127.15 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.086 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.571 HG22 HG13 ' A' ' 88' ' ' VAL . 69.8 mt -75.24 148.25 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -82.81 46.42 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.571 HG13 HG22 ' A' ' 86' ' ' ILE . 12.4 m -111.14 174.05 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -41.63 -49.57 4.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.553 ' O ' HG23 ' A' ' 88' ' ' VAL . 55.3 tt0 -109.55 129.81 23.5 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 86.8 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.409 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 30.7 t80 -72.65 115.83 12.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.5 p -89.71 131.36 35.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.831 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 83' ' ' LYS . 22.8 p -124.64 174.63 7.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 t -98.17 -33.35 11.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.4 t -148.22 164.12 34.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 98' ' ' ASP . 45.7 mt -53.08 -47.21 68.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 97' ' ' LEU . 3.1 t0 -37.76 -50.07 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -51.36 -51.59 53.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.8 t -43.35 -50.11 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 92.5 t -54.28 -50.79 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -60.82 -55.57 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.409 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 40.6 t80 -40.15 -54.91 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' A' ' 105' ' ' VAL . 22.1 m-85 -55.43 -63.89 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 104' ' ' PHE . 55.9 t -35.4 -59.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.4 t -60.03 -56.04 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -41.96 -61.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.9 t -61.67 139.39 58.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.21 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -64.96 -58.17 6.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -62.95 154.02 31.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.22 96.37 9.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.058 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.428 HD23 HD21 ' A' ' 45' ' ' ASN . 5.7 mp -73.53 166.23 23.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 70.7 t -119.32 130.94 24.57 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.584 0.707 . . . . 0.0 111.094 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 139.88 41.36 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -87.39 125.64 34.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.1 tp -134.88 131.71 37.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 tp -131.12 110.46 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -160.37 136.55 8.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.834 0.349 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 p -138.91 167.3 22.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.37 -171.82 20.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -72.45 144.51 48.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 p -106.22 173.14 6.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.81 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.47 -43.81 1.58 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -79.32 0.97 26.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.402 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 t -88.91 -31.84 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.121 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' ALA . 15.3 tp -50.48 94.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' LEU . . . -36.31 153.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.0 116.36 0.57 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.26 148.38 22.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -159.87 151.67 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.63 122.35 41.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.1 ttm-85 -101.71 20.66 15.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -89.51 43.24 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.1 51.9 1.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.82 -37.16 7.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.534 ' O ' HD12 ' A' ' 97' ' ' LEU . 14.6 pt-20 -57.45 -47.82 80.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.418 HG22 HD12 ' A' ' 97' ' ' LEU . 1.5 p -142.34 150.25 54.29 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.567 0.699 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 154.39 68.07 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.679 2.252 . . . . 0.0 112.366 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 p -58.15 -37.65 75.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.3 m -51.67 -34.83 39.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CD2' ' O ' ' A' ' 48' ' ' LEU . 8.0 t80 -61.62 150.93 34.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.623 HD11 HD12 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.47 153.72 34.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.974 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -93.29 104.91 17.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 m -147.66 174.52 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.8 m -86.92 167.82 13.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 -50.67 -49.79 56.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 mt -67.37 -52.21 42.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -42.09 -51.24 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.782 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -57.49 -61.05 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -51.45 -60.78 2.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.827 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -55.55 -33.46 63.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.527 ' N ' HD12 ' A' ' 35' ' ' LEU . 10.2 mt -63.77 -32.56 74.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.898 HD21 HD22 ' A' ' 47' ' ' LEU . 74.2 mt -56.72 -59.63 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -64.23 -33.84 76.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -62.2 -56.39 19.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -110.01 81.25 2.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.683 0.754 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -42.95 2.98 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.744 2.296 . . . . 0.0 112.289 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.86 -46.39 90.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.6 m -50.19 -50.29 49.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.53 -178.56 28.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.449 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.65 -42.58 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.583 ' HB2' HD23 ' A' ' 112' ' ' LEU . 5.6 tp -70.2 96.13 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.898 HD22 HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -117.11 176.71 5.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 5.8 mp -139.51 113.94 9.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -106.39 142.05 24.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.719 . . . . 0.0 110.825 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.77 144.21 53.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.298 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.9 m -95.91 38.45 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.67 -160.26 51.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -88.78 82.37 6.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.891 0.377 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.61 82.97 0.18 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . 62.45 42.43 8.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 111.082 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 55' ' ' ALA . 70.3 m-20 34.45 43.38 0.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.6 140.48 16.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.504 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.456 HG22 ' N ' ' A' ' 59' ' ' SER . 10.6 p -122.91 156.14 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.456 ' N ' HG22 ' A' ' 58' ' ' VAL . 2.2 m -120.04 146.93 45.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.6 t -100.34 118.52 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.201 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.3 m -109.33 121.3 44.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.574 HG22 ' HA ' ' A' ' 46' ' ' LEU . 39.0 p -138.23 141.32 39.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.583 ' HG2' HD13 ' A' ' 37' ' ' LEU . 11.4 ptt180 -124.71 144.87 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -142.06 177.89 7.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 ttm -108.22 103.89 13.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -135.74 128.27 30.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 73.38 27.04 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 58.98 30.41 66.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.432 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -141.14 159.02 43.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.363 . . . . 0.0 111.111 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.432 ' H ' ' CD2' ' A' ' 70' ' ' HIS . 10.5 p80 -83.29 111.07 18.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.2 m -111.01 135.04 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.3 t -132.79 117.42 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -108.9 139.7 43.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -113.07 118.87 35.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -105.9 159.49 15.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -119.21 166.72 12.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.0 t -131.38 98.52 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -69.19 160.07 31.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -111.95 104.43 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.948 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -118.16 84.95 2.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.44 -156.0 33.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.444 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -5.45 16.24 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.394 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? -122.2 169.92 10.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -117.92 144.2 45.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.559 ' O ' HG23 ' A' ' 85' ' ' VAL . 33.0 m -121.51 117.41 52.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 87' ' ' ASP . 76.3 mt -47.92 156.08 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.481 ' N ' HG22 ' A' ' 86' ' ' ILE . 9.9 t0 -91.69 46.38 1.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.468 HG13 HG22 ' A' ' 86' ' ' ILE . 15.4 m -111.64 -175.17 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -49.34 -51.76 32.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.35 130.61 22.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 86.38 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.704 2.27 . . . . 0.0 112.324 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 4.1 t80 -74.43 102.09 4.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.7 p -84.6 152.98 23.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.42 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . 26.6 p -151.02 -175.79 5.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 96' ' ' SER . 9.8 t -83.95 -43.81 14.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.442 ' N ' HG23 ' A' ' 95' ' ' THR . 3.5 m -152.18 170.18 20.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.795 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 20' ' ' GLU . 19.4 mt -46.68 -43.96 18.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -37.39 -58.3 0.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.42 ' CB ' ' HB2' ' A' ' 94' ' ' CYS . . . -46.46 -55.27 7.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 96.9 t -40.15 -55.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.637 ' O ' HG23 ' A' ' 105' ' ' VAL . 96.0 t -47.19 -49.95 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -60.22 -44.62 95.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -51.64 -59.74 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -49.74 -42.35 45.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 101' ' ' VAL . 90.4 t -54.1 -47.69 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 t -71.85 -51.93 19.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -45.22 -49.7 12.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.402 HG21 HD22 ' A' ' 112' ' ' LEU . 23.5 p -62.28 122.34 15.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -55.64 -27.61 50.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -110.95 125.02 53.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -43.35 99.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.583 HD23 ' HB2' ' A' ' 46' ' ' LEU . 8.2 tp -81.9 120.1 24.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.3 t -81.46 128.96 67.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.656 0.741 . . . . 0.0 111.131 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 148.9 66.22 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -96.81 110.65 23.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 34.5 tp -128.61 130.23 47.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.9 tt -120.51 106.29 11.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.6 t0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.876 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p -157.56 118.31 3.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.934 0.397 . . . . 0.0 110.835 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.0 p 42.14 42.52 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.54 104.32 0.26 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.514 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -163.55 161.54 24.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.905 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -125.54 136.93 53.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.51 72.02 0.45 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -121.12 -6.76 9.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.6 t -90.2 -30.03 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.446 ' CD2' ' HG3' ' A' ' 13' ' ' GLU . 2.0 tt -60.53 116.34 4.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.71 174.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -53.59 103.27 0.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.446 ' HG3' ' CD2' ' A' ' 10' ' ' LEU . 16.8 mt-10 -146.39 126.33 13.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -149.37 126.64 11.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.17 144.23 44.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 17' ' ' ARG . 9.9 mpt_? -103.17 -14.67 16.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 16' ' ' ARG . 13.6 tpp180 34.24 39.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.8 38.88 3.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.16 -57.91 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -40.36 -52.23 2.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 p -115.64 152.19 46.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 0.0 111.09 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' SER . 54.1 Cg_endo -69.75 132.88 24.26 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.631 2.22 . . . . 0.0 112.325 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' PRO . 63.7 p -36.35 -54.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.3 p -37.57 -45.21 0.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -50.47 158.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.769 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.32 156.45 39.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.39 104.43 14.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.447 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 4.0 m -149.11 175.34 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.4 m -83.15 156.88 23.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 31' ' ' LEU . 2.0 tmm_? -43.27 -46.9 6.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' N ' ' HD2' ' A' ' 30' ' ' ARG . 14.6 mt -73.66 -52.16 14.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -39.53 -57.31 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.708 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -49.81 -49.69 47.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -51.67 -69.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.617 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -51.04 -39.49 56.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 tp -40.14 -33.32 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.508 HD21 HD23 ' A' ' 47' ' ' LEU . 78.6 mt -60.86 -62.47 1.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 3.7 pt-20 -51.45 -28.19 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.522 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 11.1 mmt180 -75.12 -47.93 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 4.9 m-85 -128.57 77.65 77.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.741 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 -48.86 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.596 2.198 . . . . 0.0 112.371 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -46.98 -53.02 13.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.8 t -40.75 -36.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 135.15 164.99 10.63 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.606 HD21 HD22 ' A' ' 112' ' ' LEU . 0.7 OUTLIER -109.93 17.38 21.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 110.799 -179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.2 tp -117.68 83.24 1.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.769 HD13 HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -113.58 146.56 39.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.948 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.731 ' HG ' HG22 ' A' ' 60' ' ' VAL . 6.3 mp -108.71 113.29 26.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.6 ptt85 -107.53 140.89 21.97 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.691 0.758 . . . . 0.0 110.801 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 126.16 12.94 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.7 2.266 . . . . 0.0 112.291 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.3 t -124.1 128.05 48.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.785 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.32 82.54 0.3 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.52 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -124.8 -58.34 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.25 -84.5 1.01 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.465 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.09 42.09 2.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.816 0.341 . . . . 0.0 111.065 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.8 t0 47.73 41.86 14.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.42 -142.05 4.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.6 t -129.79 148.18 33.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 t -122.97 127.68 49.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.731 HG22 ' HG ' ' A' ' 48' ' ' LEU . 68.0 t -92.77 126.93 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.8 m -107.43 118.1 35.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 77.9 p -124.7 128.88 49.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -112.1 86.56 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -93.36 173.8 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.1 ttt -112.26 125.52 54.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.714 ' O ' HG22 ' A' ' 69' ' ' THR . 16.5 t60 -145.41 126.55 14.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.409 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 12.8 t-20 71.3 36.71 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.15 37.51 30.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.714 HG22 ' O ' ' A' ' 66' ' ' HIS . 14.0 t -141.25 164.33 30.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 111.097 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -94.15 126.13 39.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.3 p -143.53 139.78 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 67.9 t -108.82 115.75 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -100.43 140.4 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -115.18 143.89 44.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -126.69 138.63 53.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 77' ' ' VAL . 4.4 tppp? -110.14 154.69 22.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.403 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 84.2 t -133.31 112.61 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -71.42 161.77 30.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -115.42 113.42 23.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -133.73 81.97 1.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.12 -160.64 29.75 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.559 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 2.96 3.1 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.734 2.289 . . . . 0.0 112.289 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.44 162.29 20.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -118.4 122.31 42.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.6 m -102.21 140.38 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.448 HG22 HG13 ' A' ' 88' ' ' VAL . 39.8 mt -81.49 149.19 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -87.34 53.09 2.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.448 HG13 HG22 ' A' ' 86' ' ' ILE . 7.1 m -114.68 178.04 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' VAL . 36.0 mt-10 -34.44 -49.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.443 ' O ' HG23 ' A' ' 88' ' ' VAL . 67.5 mt-30 -121.93 136.48 26.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.61 0.719 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 90.41 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -75.12 106.64 6.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 93.5 p -79.6 137.5 37.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.7 p -131.57 175.88 8.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 96' ' ' SER . 9.9 t -96.51 -45.61 6.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.487 ' N ' HG23 ' A' ' 95' ' ' THR . 4.8 m -140.95 166.81 23.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.6 mt -47.75 -52.21 19.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -38.9 -59.56 0.95 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -41.03 -53.11 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 85.2 t -45.49 -48.73 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 86.3 t -56.02 -47.36 80.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -60.55 -45.08 95.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.431 ' CD1' ' CD1' ' A' ' 86' ' ' ILE . 11.5 t80 -50.12 -50.31 48.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -60.02 -54.88 40.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 86.1 t -44.27 -55.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.0 t -65.87 -45.27 82.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.787 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -41.55 -60.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.5 p -67.01 139.22 57.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -54.0 -38.82 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -96.64 127.0 42.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.83 109.0 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.606 HD22 HD21 ' A' ' 45' ' ' ASN . 37.4 mt -71.23 161.95 30.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.0 t -110.96 122.69 37.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.668 0.747 . . . . 0.0 111.166 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 148.56 65.03 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.556 2.171 . . . . 0.0 112.418 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.446 ' HB3' ' CB ' ' A' ' 47' ' ' LEU . 4.4 t80 -105.22 114.87 29.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.81 HD12 ' H ' ' A' ' 117' ' ' LEU . 17.4 tp -115.49 151.89 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.81 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -150.88 116.45 5.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.756 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -152.27 135.14 15.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.901 0.381 . . . . 0.0 110.838 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -148.6 150.39 33.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.54 52.51 0.45 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.8 p -87.33 146.28 25.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.875 0.369 . . . . 0.0 110.795 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 m -109.65 167.73 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.48 -62.77 2.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.419 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -71.5 -5.86 36.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.888 0.375 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 63.9 t -82.8 -26.67 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tp -66.52 102.6 0.92 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 13' ' ' GLU . . . -146.53 -178.24 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER 33.37 33.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -126.24 126.99 44.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -156.64 178.71 10.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.32 116.95 4.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -102.5 15.89 27.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 19.1 mmm180 -50.26 151.6 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 17' ' ' ARG . . . 70.05 36.61 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 pp -87.9 -18.64 28.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -100.73 -44.28 5.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -142.08 151.69 59.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 151.44 68.39 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.644 2.23 . . . . 0.0 112.329 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.2 m -61.38 -20.04 62.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.5 p -76.72 -19.84 57.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -74.13 146.22 43.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.402 HD11 HD12 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.73 149.88 28.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.463 ' HA ' ' CD ' ' A' ' 50' ' ' PRO . 27.0 mtmt -85.21 105.04 15.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 m -150.26 161.3 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 30' ' ' ARG . 1.4 t -86.65 137.79 32.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HG3' HD13 ' A' ' 31' ' ' LEU . 11.6 ptm180 -33.9 -41.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.829 HD22 ' H ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -56.17 -64.94 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -50.79 -46.56 59.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.484 ' CB ' HD11 ' A' ' 47' ' ' LEU . . . -55.22 -57.27 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -46.18 -63.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.728 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -58.97 -35.13 72.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -58.36 -43.36 88.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.998 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.684 HD21 HD22 ' A' ' 47' ' ' LEU . 44.4 mt -44.86 -58.44 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 6.2 pt-20 -63.28 -40.49 97.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 18.9 mtt180 -52.4 -53.78 40.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -107.55 80.65 0.96 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.666 0.746 . . . . 0.0 110.963 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -3.95 13.02 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.715 2.276 . . . . 0.0 112.343 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -106.87 -44.69 4.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.9 m -51.25 -33.7 29.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 136.38 -175.51 20.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -130.88 -32.0 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.949 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.462 HD12 ' CG2' ' A' ' 62' ' ' THR . 3.1 tp -85.52 94.47 9.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.684 HD22 HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -108.23 -176.6 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.453 HD12 ' C ' ' A' ' 47' ' ' LEU . 5.6 mp -143.95 130.03 19.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.5 ptt-85 -127.16 142.6 44.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.571 0.7 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.832 ' HA ' HG12 ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.75 141.32 44.97 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 m -126.41 125.23 41.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.74 -83.29 1.69 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.7 109.58 5.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.21 -59.31 0.59 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.419 ' HB1' ' HE3' ' A' ' 76' ' ' LYS . . . -141.33 167.55 21.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 111.109 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -99.43 97.36 8.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 137.75 -157.68 24.27 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.832 HG12 ' HA ' ' A' ' 50' ' ' PRO . 32.9 m -111.68 161.1 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 111.088 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 t -112.16 133.15 54.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.7 t -95.88 121.64 46.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.464 ' HB ' HD21 ' A' ' 47' ' ' LEU . 53.1 m -107.66 114.99 29.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.462 ' CG2' HD12 ' A' ' 46' ' ' LEU . 69.7 p -119.36 134.66 55.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.47 ' HB3' HD13 ' A' ' 37' ' ' LEU . 69.4 ttt-85 -126.43 86.57 2.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -95.96 166.25 11.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.6 mtp -99.9 96.06 7.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.846 ' O ' HG22 ' A' ' 69' ' ' THR . 6.0 t-160 -107.7 136.57 47.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 52.19 27.84 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.85 40.7 99.57 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.439 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.846 HG22 ' O ' ' A' ' 66' ' ' HIS . 6.5 t -138.92 164.33 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 111.093 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -92.16 104.43 16.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.782 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.566 HG13 HG23 ' A' ' 69' ' ' THR . 16.7 m -111.12 132.35 59.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 78.3 t -129.13 114.59 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -122.79 168.37 12.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -131.69 149.2 52.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -132.17 108.11 9.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HE3' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -69.78 146.57 51.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.5 t -111.81 101.5 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.185 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -66.04 149.8 49.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.31 88.04 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -111.14 95.68 5.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.06 -159.5 47.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.51 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 2.86 3.18 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.32 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -124.8 161.5 26.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -106.32 144.1 33.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 68.9 t -117.31 116.05 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.575 HG22 HG13 ' A' ' 88' ' ' VAL . 2.4 mt -68.82 127.45 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.082 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -72.62 75.75 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.575 HG13 HG22 ' A' ' 86' ' ' ILE . 27.2 m -134.81 -174.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -41.78 -58.82 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -107.82 143.24 26.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.522 0.677 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 89.01 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.73 2.286 . . . . 0.0 112.295 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -77.66 124.96 28.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 91.2 p -107.29 130.4 54.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.6 p -128.44 179.41 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.32 -39.18 9.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 m -142.89 -177.92 5.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.16 -28.22 63.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -53.33 -48.16 68.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.11 65.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 87.1 t -44.76 -50.3 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.402 HG13 HD21 ' A' ' 46' ' ' LEU . 91.4 t -50.2 -39.19 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -78.34 -39.99 37.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.559 ' CD1' HD12 ' A' ' 86' ' ' ILE . 21.3 t80 -47.28 -52.22 16.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -59.84 -46.18 90.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 49.3 t -50.31 -45.03 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.8 t -73.94 -55.43 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -44.6 -63.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 44.5 p -51.23 143.05 11.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -22.9 50.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -122.75 151.21 41.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.05 98.84 8.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.89 159.02 35.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.478 HG13 ' HD2' ' A' ' 114' ' ' PRO . 42.4 t -108.49 135.54 20.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.729 . . . . 0.0 111.189 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.478 ' HD2' HG13 ' A' ' 113' ' ' VAL . 54.2 Cg_endo -69.75 147.16 62.31 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.418 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -95.01 120.85 35.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.5 tp -126.67 131.52 51.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.32 110.74 15.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.0 t70 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.815 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -165.05 157.72 16.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.801 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.7 p -164.71 174.35 10.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.17 -53.14 1.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.459 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 55.54 42.28 29.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.862 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -81.73 166.41 20.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.1 -53.2 0.75 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -67.27 -4.63 11.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.839 0.352 . . . . 0.0 110.803 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.7 t -77.38 -23.19 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.519 HD11 ' OE1' ' A' ' 13' ' ' GLU . 1.5 tp -61.17 106.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.423 ' C ' ' HD2' ' A' ' 12' ' ' LYS . . . -155.3 159.76 40.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER 37.33 41.47 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.519 ' OE1' HD11 ' A' ' 10' ' ' LEU . 15.2 mt-10 -83.25 -57.35 3.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -120.13 175.4 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.5 158.06 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.2 -14.93 7.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 52.55 53.39 12.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 21' ' ' THR . . . -108.69 65.52 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.2 mt -81.87 -55.86 4.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.73 -47.06 76.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.421 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 1.2 p -107.8 153.03 41.79 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.601 0.715 . . . . 0.0 111.075 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 160.65 48.93 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.0 p -61.62 -36.16 79.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p -52.79 -37.36 59.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 9.0 t80 -60.94 153.3 25.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.828 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.38 154.5 35.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.89 105.21 17.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.8 m -152.01 170.59 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.1 p -79.44 151.06 31.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' HB2' ' NH2' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -51.67 -18.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.8 mt -88.46 -50.79 6.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -56.26 -49.07 75.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.575 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -46.32 -38.34 8.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -68.35 -69.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -54.67 -21.55 11.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 33' ' ' ALA . 14.8 mt -65.15 -25.73 67.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.764 HD21 HD23 ' A' ' 47' ' ' LEU . 14.1 mt -71.15 -57.73 4.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.22 -32.9 72.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HG3' ' CD1' ' A' ' 35' ' ' LEU . 17.3 mmt180 -67.12 -54.55 20.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -108.71 78.77 0.95 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -46.12 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.415 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -51.56 -53.49 37.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 95.7 m -44.61 -50.67 9.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.22 -172.62 31.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.675 HD21 HD11 ' A' ' 112' ' ' LEU . 13.3 p-10 -121.83 -29.52 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 110.916 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.681 ' HA ' HG22 ' A' ' 62' ' ' THR . 6.3 tp -79.33 116.46 19.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.828 HD13 HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -141.22 155.5 46.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.491 ' HG ' HG22 ' A' ' 60' ' ' VAL . 5.5 mp -120.86 118.92 31.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.408 ' NH2' ' HB2' ' A' ' 30' ' ' ARG . 24.2 ptt85 -111.77 143.66 29.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.602 0.715 . . . . 0.0 110.857 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.445 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.8 Cg_endo -69.66 124.06 10.75 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 t -120.37 74.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.804 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.56 -162.01 33.66 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.447 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -96.8 42.23 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.901 0.382 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.59 -109.77 0.72 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.58 37.1 3.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -114.35 80.37 1.39 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.65 125.59 5.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.1 t -128.37 140.42 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.784 0.326 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 m -104.61 159.47 15.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.491 HG22 ' HG ' ' A' ' 48' ' ' LEU . 21.9 t -125.2 118.46 52.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.468 HG22 HD11 ' A' ' 37' ' ' LEU . 2.6 m -104.19 121.55 43.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.681 HG22 ' HA ' ' A' ' 46' ' ' LEU . 62.1 p -137.99 136.91 37.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -136.08 145.14 45.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -167.84 172.56 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.6 ttm -69.19 97.99 0.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.85 ' O ' HG22 ' A' ' 69' ' ' THR . 2.8 t-80 -108.95 123.74 49.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 55.94 28.24 12.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.42 17.49 76.23 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.52 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.85 HG22 ' O ' ' A' ' 66' ' ' HIS . 14.8 t -126.58 162.11 26.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -98.44 118.29 34.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.8 p -148.99 144.99 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.8 t -108.42 120.68 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -93.88 164.73 12.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -145.37 150.37 36.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -136.26 157.34 47.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.62 140.15 52.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.3 t -114.63 135.54 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 79' ' ' ARG . 32.6 tptt -87.67 149.95 23.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.414 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 17.0 tpt85 -114.48 107.14 15.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -147.77 114.9 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.55 -169.48 33.34 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 2.71 3.25 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.17 151.66 43.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -116.39 119.52 35.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.412 HG23 ' HB3' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -94.26 122.69 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.7 mt -65.23 127.25 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -68.09 74.32 0.21 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.782 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 90' ' ' GLN . 1.0 OUTLIER -134.95 -176.96 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -39.84 -48.7 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 88' ' ' VAL . 37.4 mt-30 -120.93 141.48 32.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.528 0.68 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 89.18 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -83.05 102.75 11.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.6 p -75.84 156.57 34.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 27.3 p -146.95 -177.19 5.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.6 t -100.61 -39.03 8.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.178 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.9 t -147.58 -175.18 4.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.93 -38.71 72.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.53 -52.83 52.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.67 -46.21 49.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 94.8 t -46.29 -53.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.566 HG13 HD21 ' A' ' 46' ' ' LEU . 96.8 t -49.39 -46.41 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -57.33 -36.26 70.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -64.56 -31.38 72.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -82.09 -46.93 13.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.974 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.4 t -45.39 -26.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.5 t -82.39 -68.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -43.8 -53.04 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.3 p -58.66 -177.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -40.78 151.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.484 ' N ' ' HD3' ' A' ' 109' ' ' LYS . 15.2 ttmt -33.05 -34.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 109' ' ' LYS . . . -154.28 130.19 10.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.675 HD11 HD21 ' A' ' 45' ' ' ASN . 11.2 tp -119.68 134.54 55.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.6 t -85.8 124.36 71.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.665 0.745 . . . . 0.0 111.136 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 160.85 48.17 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 46' ' ' LEU . 12.0 t80 -108.89 120.55 42.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.4 tp -137.34 130.99 31.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.1 tt -121.76 102.59 8.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.815 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.1 t -164.07 130.52 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.948 0.404 . . . . 0.0 110.823 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -142.13 168.55 19.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.46 172.5 17.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.441 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.3 p -145.04 176.51 9.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 m -96.77 177.46 5.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.76 115.22 6.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' VAL . 11.7 mt-10 -49.96 -179.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.971 0.415 . . . . 0.0 110.885 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 8' ' ' GLU . 5.0 m -34.22 113.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.882 HD22 ' HG3' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -130.35 98.43 4.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.15 6.64 13.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.091 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.72 30.54 6.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.971 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.882 ' HG3' HD22 ' A' ' 10' ' ' LEU . 11.8 mt-10 -73.47 -55.46 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -152.47 145.87 24.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.25 139.15 51.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HD3' ' CD ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -95.36 -13.87 24.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.429 ' CD ' ' HD3' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -76.63 48.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.02 58.77 3.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mp -79.5 -66.3 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.024 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.611 ' O ' HD12 ' A' ' 97' ' ' LEU . 8.3 mt-10 -44.18 -50.13 8.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -144.13 149.56 45.77 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 0.0 111.147 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.76 55.84 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.391 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 m -55.44 -48.17 74.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.7 p -45.23 -42.6 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 36.4 t80 -43.76 154.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.624 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.23 153.58 34.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -102.43 104.74 15.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 m -148.54 174.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.181 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 t -79.27 160.93 26.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -59.39 -47.04 86.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 mp -76.07 -24.02 55.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 33' ' ' ALA . 29.0 mt-10 -72.92 -59.42 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.613 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -34.59 -48.77 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.32 -66.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.674 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -56.61 -32.86 65.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' CD2' HD22 ' A' ' 26' ' ' LEU . 6.0 tp -43.61 -22.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.582 HD23 ' CE2' ' A' ' 115' ' ' PHE . 77.6 mt -77.92 -55.11 5.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 2.6 pt-20 -51.65 -26.51 9.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' ' 38' ' ' GLU . 74.0 mtt-85 -84.37 -40.67 17.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -126.31 59.49 31.5 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.02 29.95 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.636 2.224 . . . . 0.0 112.313 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -93.57 -16.98 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 p -79.99 -32.41 39.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.52 -179.95 24.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.643 HD21 HD11 ' A' ' 112' ' ' LEU . 1.8 p-10 -125.02 -26.46 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.375 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.421 HD21 HG13 ' A' ' 101' ' ' VAL . 9.0 tp -81.39 90.02 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.624 HD13 HD11 ' A' ' 26' ' ' LEU . 1.7 pp -115.37 148.49 39.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.53 ' HG ' HG22 ' A' ' 60' ' ' VAL . 5.2 mp -120.3 110.57 16.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 59' ' ' SER . 0.1 OUTLIER -99.16 151.24 37.32 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.593 0.711 . . . . 0.0 110.864 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 124.04 10.71 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.687 2.258 . . . . 0.0 112.374 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t -101.39 103.77 14.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.799 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.18 158.19 33.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -97.22 112.23 24.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.83 73.02 0.82 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -159.11 168.55 26.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.58 41.42 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -128.87 139.78 11.23 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.7 t -139.47 147.7 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 49' ' ' ARG . 31.0 m -111.75 159.18 18.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.53 HG22 ' HG ' ' A' ' 48' ' ' LEU . 48.1 t -133.56 124.05 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.1 m -108.11 112.17 24.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.166 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.6 p -119.24 127.02 52.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.484 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . 4.2 tmm_? -111.26 83.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -86.92 155.86 20.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.4 ttm -102.39 125.62 49.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.566 ' O ' HG22 ' A' ' 69' ' ' THR . 10.6 t-80 -122.89 103.41 8.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.36 31.35 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.01 43.87 32.1 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 66' ' ' HIS . 4.9 t -127.3 154.66 44.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 111.151 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.475 ' CG ' ' O ' ' A' ' 70' ' ' HIS . 1.6 p80 -99.22 122.42 42.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.7 t -149.45 134.75 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 82.5 t -108.32 104.98 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -94.24 140.59 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -122.02 131.89 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -109.84 141.04 43.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.987 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 77' ' ' VAL . 28.2 tptt -108.76 156.37 19.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.41 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 98.2 t -133.36 122.35 44.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 145.38 29.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -95.21 109.86 21.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -129.79 83.68 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.06 -157.19 36.89 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.43 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -2.32 9.96 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 pttm -114.53 170.88 7.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -123.0 109.99 14.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.8 t -86.55 124.79 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.477 HD12 ' CD1' ' A' ' 103' ' ' TYR . 6.1 mt -67.81 145.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -92.82 65.35 4.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.477 HG13 HG22 ' A' ' 86' ' ' ILE . 17.4 m -130.41 -178.56 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.056 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' VAL . 24.5 tp10 -36.42 -60.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -106.7 135.49 19.52 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.576 0.703 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 86.39 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.627 2.218 . . . . 0.0 112.373 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.728 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 50.5 t80 -81.02 109.93 16.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.0 p -81.98 151.65 27.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.447 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 17.5 p -141.23 -175.31 4.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.84 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.9 t -109.33 -29.13 8.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.6 p -163.66 176.21 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 20' ' ' GLU . 37.3 mt -58.66 -34.02 70.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -52.82 -44.63 66.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 94' ' ' CYS . . . -64.0 -50.03 70.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.3 t -45.05 -56.2 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 105' ' ' VAL . 89.6 t -46.83 -42.04 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -69.81 -45.99 66.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.728 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 55.6 t80 -46.74 -45.06 19.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -67.02 -40.95 87.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 101' ' ' VAL . 89.9 t -58.44 -50.96 76.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 t -72.35 -48.38 42.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -43.84 -54.64 5.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 67.5 p -82.19 144.74 30.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -70.39 -67.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -41.92 163.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.63 109.69 19.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.099 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.643 HD11 HD21 ' A' ' 45' ' ' ASN . 12.0 tp -91.51 111.14 22.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.5 t -85.39 123.03 73.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.66 0.743 . . . . 0.0 111.065 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 144.58 54.29 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.722 2.281 . . . . 0.0 112.321 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.582 ' CE2' HD23 ' A' ' 37' ' ' LEU . 1.8 t80 -83.65 114.0 21.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.7 tp -122.86 138.41 54.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.441 HD13 ' N ' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -126.87 117.53 22.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.966 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.441 ' N ' HD13 ' A' ' 117' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 p -63.4 123.71 19.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.923 0.392 . . . . 0.0 110.833 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 t -91.92 -45.38 8.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.53 -114.64 6.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t 55.9 45.1 24.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -76.47 149.11 36.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.05 74.27 0.74 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' LEU . 65.7 mt-10 -61.14 178.59 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.38 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 10' ' ' LEU . 1.8 m -35.13 -34.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 9' ' ' VAL . 12.9 tp 33.5 50.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -110.33 4.55 20.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.14 2.84 32.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.69 -59.28 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -132.21 178.33 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -154.93 128.06 8.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.049 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -94.66 -14.67 24.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -50.95 171.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.812 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.39 48.27 3.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.599 ' H ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -92.79 -17.97 23.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.563 ' HG2' HG23 ' A' ' 21' ' ' THR . 1.0 OUTLIER -87.82 -38.32 15.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.563 HG23 ' HG2' ' A' ' 20' ' ' GLU . 1.2 p -110.02 152.64 43.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 159.61 52.7 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.635 2.223 . . . . 0.0 112.325 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.5 p -61.8 -38.57 88.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.0 m -53.88 -24.33 15.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.818 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 3.5 t80 -76.07 150.2 37.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.906 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.36 156.22 39.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -98.38 105.2 17.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 m -153.36 154.82 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.407 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . 1.6 m -54.07 161.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.819 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.6 HH12 HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -71.04 -26.31 63.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.87 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.6 HD12 HH12 ' A' ' 30' ' ' ARG . 11.6 mt -87.56 -20.86 25.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 35' ' ' LEU . 22.7 mt-10 -80.73 -58.68 2.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -36.5 -35.69 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -66.76 -44.29 81.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.653 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -66.79 -40.03 88.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.5 mt -47.36 -29.95 2.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.585 HD13 ' CB ' ' A' ' 63' ' ' ARG . 62.4 mt -65.47 -67.21 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -50.98 -26.29 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.574 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 48.3 mmt-85 -71.73 -50.28 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.817 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 2.8 m-85 -125.08 80.49 64.17 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.69 0.757 . . . . 0.0 110.927 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -47.19 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.632 2.221 . . . . 0.0 112.399 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -53.49 -37.83 63.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.65 -46.97 83.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 154.49 -178.73 31.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.539 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.468 ' HA ' HD22 ' A' ' 37' ' ' LEU . 1.8 p-10 -122.67 -29.52 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.604 ' HB2' HD23 ' A' ' 112' ' ' LEU . 6.7 tp -78.94 126.24 30.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.906 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -151.21 163.47 38.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.837 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.672 ' N ' HD12 ' A' ' 47' ' ' LEU . 6.9 mp -124.83 124.58 42.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.473 ' CD ' ' HA ' ' A' ' 30' ' ' ARG . 41.6 ptt85 -118.35 151.49 49.54 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.646 0.736 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 123.21 9.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.356 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 t -67.65 146.52 53.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.52 -75.08 0.9 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -106.47 128.06 53.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.881 0.372 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.59 -64.21 0.51 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.429 ' HB3' ' CE ' ' A' ' 76' ' ' LYS . . . -163.57 166.7 22.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -86.97 97.35 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.09 -148.74 5.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.459 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 p -141.11 133.52 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 111.093 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.417 ' OG ' ' CG ' ' A' ' 49' ' ' ARG . 4.7 p -88.33 159.45 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.538 HG21 ' CE2' ' A' ' 104' ' ' PHE . 60.3 t -125.06 93.66 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.9 m -82.74 116.9 22.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.7 p -127.65 124.66 38.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.585 ' CB ' HD13 ' A' ' 37' ' ' LEU . 3.8 tmt_? -119.21 83.49 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 65' ' ' MET . 4.9 tp60 -92.63 144.74 25.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.446 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 2.4 ttt -72.88 112.24 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.742 ' O ' HG22 ' A' ' 69' ' ' THR . 3.9 m170 -126.62 145.0 50.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 m120 43.08 34.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 51.59 43.77 53.4 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.428 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 66' ' ' HIS . 14.5 t -140.22 165.73 26.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 111.118 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -95.3 104.85 16.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.701 HG23 HG23 ' A' ' 69' ' ' THR . 62.4 t -129.38 132.83 66.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.544 HG22 ' CG ' ' A' ' 63' ' ' ARG . 24.9 t -119.12 131.61 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -119.1 160.46 22.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -140.59 130.8 24.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -114.45 146.17 40.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' CE ' ' HB3' ' A' ' 55' ' ' ALA . 6.9 tmtm? -105.42 143.32 33.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.41 ' N ' ' HD3' ' A' ' 76' ' ' LYS . 92.3 t -117.72 122.29 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 79' ' ' ARG . 12.0 ttmm -86.56 153.8 21.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.466 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -111.3 108.24 17.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.84 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -134.72 104.13 5.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.53 -157.36 53.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -0.41 6.85 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.362 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -126.81 156.24 41.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -117.28 121.44 41.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.0 t -91.55 138.09 20.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.64 ' CD1' ' CD1' ' A' ' 103' ' ' TYR . 25.0 mt -81.96 135.63 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.31 76.26 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.0 m -142.02 178.12 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 88' ' ' VAL . 14.5 mt-10 -35.03 -56.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -110.79 130.48 22.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 88.19 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.659 2.239 . . . . 0.0 112.428 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.665 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 73.8 t80 -81.04 121.53 26.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 90.8 p -77.92 146.18 35.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 24.7 m -137.29 114.83 11.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.06 -36.49 65.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.1 m -155.62 172.11 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 26.0 mt -56.91 -30.45 63.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.58 -43.33 75.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.16 -55.38 25.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.059 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.1 t -38.24 -53.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.663 ' O ' HG23 ' A' ' 105' ' ' VAL . 41.1 t -51.8 -48.66 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -64.12 -54.75 29.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.665 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 8.3 t80 -43.45 -44.99 6.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.538 ' CE2' HG21 ' A' ' 60' ' ' VAL . 11.3 m-85 -70.68 -43.41 69.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 101' ' ' VAL . 37.1 t -45.04 -45.76 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.6 t -90.39 -47.69 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.779 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 108' ' ' THR . 81.9 t60 -48.92 -64.69 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 107' ' ' HIS . 40.9 p -36.06 -64.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -149.67 -178.13 6.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -46.35 -37.95 8.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -165.57 132.09 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.604 HD23 ' HB2' ' A' ' 46' ' ' LEU . 7.4 tp -125.58 160.27 30.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.7 t -113.3 128.63 25.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.676 0.75 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 164.29 35.12 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' LEU . 33.8 t80 -115.98 122.05 44.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.827 HD12 ' H ' ' A' ' 117' ' ' LEU . 16.4 tp -128.63 149.07 50.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.827 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -138.29 107.75 6.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.83 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.861 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -168.4 169.18 10.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.915 0.388 . . . . 0.0 110.83 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -169.75 170.52 7.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.62 -84.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 m 62.81 41.69 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.915 0.388 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 p -159.36 147.75 17.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.55 50.29 4.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -72.35 -4.56 30.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.934 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.9 t -78.53 -25.32 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.5 mt -91.27 103.39 16.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.14 -175.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -56.03 123.89 15.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -150.82 128.77 11.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -153.94 168.74 25.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.73 118.24 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -114.1 21.92 14.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -77.62 47.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.67 71.83 3.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.047 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.6 mt -109.52 -63.18 1.39 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -38.72 -37.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -137.38 148.85 63.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.612 0.72 . . . . 0.0 111.212 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 146.9 61.83 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.312 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.2 m -48.73 -40.29 27.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.46 ' HA ' HD13 ' A' ' 116' ' ' LEU . 29.8 p -47.48 -43.41 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.545 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 67.7 t80 -50.05 152.97 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.766 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.48 152.39 31.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -90.91 104.94 17.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.544 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 2.9 m -150.87 163.1 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -76.56 -176.94 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -66.09 -43.12 88.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' GLN . 11.1 mt -81.73 -52.3 7.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -36.75 -39.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.544 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . . . -72.21 -45.19 61.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' LEU . 15.9 tt0 -55.74 -37.78 68.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -83.63 -24.17 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 mt -67.85 -20.74 65.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.615 HD21 HD23 ' A' ' 47' ' ' LEU . 62.6 mt -76.08 -67.12 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -54.25 -30.8 51.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -70.85 -38.46 73.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -131.17 70.18 82.3 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.681 0.753 . . . . 0.0 110.915 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -37.37 9.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.238 . . . . 0.0 112.386 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.05 -27.14 68.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.5 m -85.59 37.93 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.74 179.98 46.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -132.92 -52.62 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 110.864 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.525 HD21 HG13 ' A' ' 101' ' ' VAL . 9.9 tp -50.07 89.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.766 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -114.19 143.17 45.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 47' ' ' LEU . 6.3 mp -108.88 119.27 39.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.456 ' HD3' ' HB3' ' A' ' 33' ' ' ALA . 15.0 ptt85 -116.6 136.84 23.25 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.545 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.4 Cg_endo -69.79 125.01 11.63 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m -70.73 -65.28 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . -166.5 -143.37 3.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.514 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' GLY . 8.5 p-10 -35.01 -41.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -48.88 98.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.57 -27.46 16.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 111.068 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.71 29.25 2.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.49 111.62 0.3 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.458 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.2 m -107.21 177.21 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 111.056 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -104.41 143.4 33.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.84 115.13 46.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 29.5 m -97.25 113.29 24.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.9 p -125.68 131.67 52.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -110.46 92.29 3.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -95.65 -175.5 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.6 mtp -126.28 107.58 10.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.577 ' O ' HG22 ' A' ' 69' ' ' THR . 52.1 t60 -122.57 127.98 50.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 t30 67.18 27.37 8.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.24 39.34 97.06 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 66' ' ' HIS . 1.3 t -140.83 160.03 40.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.363 . . . . 0.0 111.147 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 70' ' ' HIS . 5.3 p80 -83.17 116.2 22.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.0 m -122.5 147.88 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.4 t -133.69 111.3 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.77 134.4 55.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -114.21 116.69 29.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -84.01 145.9 28.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -112.67 127.99 56.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.5 t -94.21 107.08 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -62.64 160.84 13.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -113.51 111.93 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.28 79.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.15 -150.98 43.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 -0.85 7.59 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.687 2.258 . . . . 0.0 112.295 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -112.35 159.82 18.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.935 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -115.72 111.86 21.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.9 t -90.6 132.95 33.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 87' ' ' ASP . 12.5 mt -83.79 155.14 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.448 ' N ' HG22 ' A' ' 86' ' ' ILE . 5.4 t70 -96.44 71.53 2.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 90' ' ' GLN . 3.4 m -138.23 172.8 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -38.19 -50.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.509 ' O ' HG23 ' A' ' 88' ' ' VAL . 13.7 tt0 -105.18 130.39 23.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.558 0.694 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 85.5 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.374 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.571 ' CD2' ' CD2' ' A' ' 103' ' ' TYR . 80.8 t80 -89.67 116.59 27.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.4 p -102.92 166.79 10.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.54 ' SG ' ' CE2' ' A' ' 92' ' ' PHE . 38.1 m -159.06 161.64 36.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.9 p -83.89 -48.53 9.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.542 ' HG ' ' CG ' ' A' ' 98' ' ' ASP . 80.0 p -116.04 165.68 12.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 98' ' ' ASP . 13.5 mt -64.83 -48.95 72.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.542 ' CG ' ' HG ' ' A' ' 96' ' ' SER . 0.6 OUTLIER -37.81 -61.92 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -42.44 -43.68 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.4 t -56.32 -46.25 81.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.525 HG13 HD21 ' A' ' 46' ' ' LEU . 47.4 t -55.97 -41.86 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -65.35 -55.2 19.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.571 ' CD2' ' CD2' ' A' ' 92' ' ' PHE . 30.8 t80 -39.56 -65.48 0.38 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 103' ' ' TYR . 10.1 m-85 -35.55 -56.29 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 62.0 t -39.64 -54.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.0 t -70.47 -45.59 65.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.414 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 76.4 t60 -45.87 -56.58 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.456 HG21 ' CD1' ' A' ' 112' ' ' LEU . 66.5 p -54.54 -174.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.29 7.36 9.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.52 169.58 14.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.06 97.69 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.456 ' CD1' HG21 ' A' ' 108' ' ' THR . 66.6 mt -93.17 157.12 16.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 114' ' ' PRO . 95.5 t -129.62 138.9 34.14 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.596 0.712 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 113' ' ' VAL . 54.3 Cg_endo -69.76 147.82 63.73 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.679 2.253 . . . . 0.0 112.394 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 115' ' ' PHE . 5.5 t80 -101.37 138.44 38.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 24' ' ' CYS . 58.5 tp -147.87 158.4 44.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 117' ' ' LEU . 0.5 OUTLIER -137.69 117.91 13.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 179.86 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.2 p -152.95 134.22 14.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 p -59.66 143.56 50.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.69 43.39 1.81 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 m -153.75 144.44 22.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.897 0.379 . . . . 0.0 110.817 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -83.65 91.61 7.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.81 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.76 77.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -56.71 -12.74 2.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.915 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 9' ' ' VAL . 16.4 m -143.68 118.11 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.13 52.04 2.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.8 -2.03 4.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.43 34.18 5.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -95.66 162.74 13.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 16' ' ' ARG . 28.4 mt-10 -84.16 -25.0 29.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 38.3 26.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.082 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -59.19 -14.49 10.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -100.91 86.7 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -130.36 50.62 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.481 ' O ' HD12 ' A' ' 19' ' ' LEU . 4.0 pp -88.7 24.78 1.91 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.981 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -89.39 -59.33 2.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.509 HG22 HD12 ' A' ' 97' ' ' LEU . 1.1 p -146.22 148.33 34.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.518 0.675 . . . . 0.0 111.213 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.543 ' HG3' HG21 ' A' ' 101' ' ' VAL . 53.9 Cg_endo -69.73 146.03 59.14 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.73 2.287 . . . . 0.0 112.386 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.3 m -46.78 -49.04 20.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.3 p -42.02 -43.95 3.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -49.38 152.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.775 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.42 151.72 31.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -92.38 104.83 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.56 175.04 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.095 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.8 p -86.73 160.54 18.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' NH2' ' CG ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -57.8 -21.28 41.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.0 mt -87.34 -55.99 3.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.566 ' HA ' HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -48.05 -58.31 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.539 ' HB1' HD21 ' A' ' 47' ' ' LEU . . . -34.06 -38.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -67.96 -51.52 46.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.66 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -56.17 -41.47 75.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.797 HD23 ' CZ ' ' A' ' 115' ' ' PHE . 2.5 mp -50.91 -26.57 6.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 45' ' ' ASN . 59.7 mt -74.62 -66.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -54.97 -35.87 64.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.58 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 6.3 mmm-85 -73.76 -51.25 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -119.13 76.59 15.86 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.674 0.75 . . . . 0.0 110.93 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -45.97 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.588 2.192 . . . . 0.0 112.363 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -54.97 -39.49 69.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.2 m -52.01 -43.82 63.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.35 178.49 23.53 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.504 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -120.06 -38.68 2.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.379 . . . . 0.0 110.866 -179.852 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.5 tp -74.67 92.11 2.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.775 HD13 HD11 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -116.02 134.63 54.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.855 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.3 mp -101.87 119.33 38.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 41.8 ptt85 -115.57 152.28 47.01 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.634 0.73 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 148.04 64.5 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.65 2.233 . . . . 0.0 112.414 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.6 p -42.46 -53.94 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.78 -51.15 4.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.431 ' CG ' ' NH2' ' A' ' 30' ' ' ARG . 29.5 p-10 -156.52 177.62 11.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 0.0 110.839 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.74 -59.9 4.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.52 176.02 13.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.825 0.345 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -90.94 94.35 9.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.25 -157.92 9.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.9 t -139.77 138.85 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 111.061 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.6 t -107.64 146.21 32.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -119.1 116.43 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.5 m -97.73 128.71 44.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 79.4 p -135.38 124.73 24.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.622 ' HD3' HG22 ' A' ' 72' ' ' VAL . 13.0 tpt85 -105.77 100.97 10.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -105.97 178.05 4.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.1 tpt -115.34 110.0 18.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.614 ' O ' HG22 ' A' ' 69' ' ' THR . 68.8 t60 -132.48 148.43 52.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.78 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 39.3 41.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 43.06 42.81 5.33 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 66' ' ' HIS . 11.3 t -140.31 148.14 40.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 111.117 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.43 ' HB3' ' NH2' ' A' ' 63' ' ' ARG . 6.9 p80 -75.97 112.07 12.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.48 139.48 51.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.622 HG22 ' HD3' ' A' ' 63' ' ' ARG . 57.4 t -127.65 120.22 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.432 ' HD2' ' CZ ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -109.51 145.01 36.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' A' ' 74' ' ' HIS . 1.8 p80 -128.04 105.73 8.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.432 ' CZ ' ' HD2' ' A' ' 73' ' ' ARG . 98.3 m-85 -81.13 141.01 34.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -103.14 160.66 14.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 78.2 t -129.95 132.62 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -100.49 151.46 21.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -96.63 97.89 9.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.27 85.24 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.15 -153.16 49.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -3.51 12.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.749 2.299 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.38 166.56 13.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -117.32 138.79 51.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.0 m -109.23 134.57 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.505 ' CD1' ' CD1' ' A' ' 103' ' ' TYR . 52.6 mt -79.89 154.0 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.429 ' N ' HG22 ' A' ' 86' ' ' ILE . 1.2 m-20 -88.4 64.56 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.48 HG13 HG22 ' A' ' 86' ' ' ILE . 30.0 m -131.81 179.54 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 88' ' ' VAL . 4.5 tt0 -34.36 -58.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -114.25 143.06 29.05 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 110.945 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 85.01 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.403 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.575 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 30.3 t80 -66.44 106.38 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.5 p -75.92 143.58 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.421 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 29.1 p -145.9 141.8 28.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 96' ' ' SER . 10.0 t -66.35 -41.9 88.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.43 ' N ' HG23 ' A' ' 95' ' ' THR . 70.7 m -143.13 176.48 9.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.798 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.509 HD12 HG22 ' A' ' 21' ' ' THR . 9.5 mt -61.93 -45.05 95.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 97' ' ' LEU . 1.5 t70 -38.24 -55.61 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.421 ' HB3' ' HB2' ' A' ' 94' ' ' CYS . . . -50.65 -52.94 35.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 99.9 t -41.43 -50.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.611 ' O ' HG23 ' A' ' 105' ' ' VAL . 69.4 t -52.72 -49.75 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -60.64 -43.14 97.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.575 ' CD2' ' CD1' ' A' ' 92' ' ' PHE . 56.3 t80 -52.09 -51.44 57.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -61.94 -55.39 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 101' ' ' VAL . 94.7 t -39.27 -48.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.7 t -76.64 -54.13 7.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -44.29 -62.25 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 110' ' ' LYS . 12.8 t -46.56 148.75 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -67.69 -60.59 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.533 ' O ' HG23 ' A' ' 108' ' ' THR . 0.5 OUTLIER -80.33 157.78 26.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.41 88.49 6.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.163 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.1 mp -68.2 139.78 56.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 18.3 t -94.05 131.18 32.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.634 0.73 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.89 130.66 19.56 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 0.0 112.292 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.797 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 3.3 t80 -80.69 127.44 32.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.9 tp -143.24 144.67 32.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tt -130.48 109.91 11.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -70.67 106.34 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.38 . . . . 0.0 110.775 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -41.24 -57.74 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.53 98.94 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 m -110.94 175.03 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.819 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -114.43 42.27 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.44 98.52 0.34 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.443 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -48.31 -18.99 0.26 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.857 0.361 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -173.64 143.34 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt -134.9 97.25 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.26 3.66 32.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 23.14 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -116.74 130.16 56.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -152.62 155.14 36.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.32 93.05 3.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.055 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -84.72 21.23 1.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 -91.22 59.55 3.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.94 43.1 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' GLU . 5.6 mp -107.39 -52.5 2.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' LEU . 18.5 mt-10 -36.05 -58.81 0.64 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 p -140.75 151.83 64.14 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.568 0.699 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 134.45 27.9 Favored 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.729 2.286 . . . . 0.0 112.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.7 m -38.91 -51.18 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.9 p -40.11 -44.47 1.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -45.98 153.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.479 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.29 151.12 30.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.5 104.99 17.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.425 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 3.0 m -152.29 170.79 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.179 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.8 m -81.01 165.3 21.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 4.6 ptp180 -50.87 -34.56 28.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 32' ' ' GLU . 12.9 mt -85.84 -53.81 4.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' LEU . 15.8 mm-40 -37.44 -40.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.608 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -71.29 -48.45 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.076 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -57.15 -52.25 66.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 35' ' ' LEU . 1.9 pp -63.06 -31.57 72.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.62 -32.88 74.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.68 HD13 ' HB2' ' A' ' 63' ' ' ARG . 95.3 mt -72.37 -65.78 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 8.4 pt-20 -40.09 -34.54 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.468 ' NH1' HD13 ' A' ' 35' ' ' LEU . 28.1 mtt85 -73.76 -51.02 17.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -114.08 76.52 3.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.689 0.757 . . . . 0.0 110.974 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -45.47 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.657 2.238 . . . . 0.0 112.337 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -61.67 -46.12 91.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 m -45.74 -55.96 5.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.59 157.53 17.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.437 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.573 ' HA ' HD22 ' A' ' 37' ' ' LEU . 2.8 p-10 -115.31 -39.47 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.797 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.8 97.51 3.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.956 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.608 HD11 ' HB1' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -117.83 148.24 42.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.589 ' HG ' HG22 ' A' ' 60' ' ' VAL . 6.5 mp -114.49 115.92 28.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.429 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 6.5 ptm180 -113.35 145.19 32.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.83 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 130.57 19.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.719 2.28 . . . . 0.0 112.35 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.0 t -124.07 119.36 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.09 -147.03 5.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.71 41.97 14.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.37 -45.66 1.12 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.547 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.86 -42.79 69.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 111.114 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 59.68 44.88 13.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.43 -155.95 7.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.0 t -119.76 145.02 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m -114.19 150.11 34.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.589 HG22 ' HG ' ' A' ' 48' ' ' LEU . 61.4 t -115.69 123.22 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.4 m -112.15 117.99 34.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.184 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.6 p -115.09 142.11 47.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.09 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.68 ' HB2' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -126.54 85.03 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -98.89 140.03 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 8.4 tpt -84.62 107.23 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.528 ' HB3' HG22 ' A' ' 69' ' ' THR . 3.7 t-160 -69.81 -178.88 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' HIS . 6.0 t-20 -33.66 -39.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -177.42 35.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 66' ' ' HIS . 6.1 t -141.32 155.41 45.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 111.167 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -100.43 103.96 15.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.3 t -118.82 133.53 65.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.4 t -119.53 119.89 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -98.15 171.62 8.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -145.1 135.97 24.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -126.6 160.76 29.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -129.51 164.02 24.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.2 t -133.37 144.7 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.191 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -107.86 175.48 5.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.74 93.63 4.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -117.32 85.28 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.23 -155.52 51.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 3.02 3.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.246 . . . . 0.0 112.307 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.7 154.86 43.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -111.52 144.13 41.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 85' ' ' VAL . 27.1 m -119.52 115.5 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.2 mt -55.71 151.48 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.93 59.74 5.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 90' ' ' GLN . 10.7 m -126.79 168.48 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' VAL . 49.9 mm-40 -36.62 -45.9 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.574 ' O ' HG23 ' A' ' 88' ' ' VAL . 65.4 tt0 -113.32 124.67 30.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 86.36 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -66.78 102.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.1 m -88.36 130.71 35.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 28.6 p -137.26 -179.73 5.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.1 t -73.92 -38.56 64.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.4 p -168.13 165.88 13.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 98' ' ' ASP . 15.9 mt -39.57 -42.65 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' LEU . 33.3 t70 -36.41 -49.56 0.72 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.28 -50.15 72.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.065 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.8 t -43.37 -53.24 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 94.7 t -44.93 -46.05 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -74.2 -43.1 58.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -48.8 -46.06 41.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.987 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -61.37 -52.75 63.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 112' ' ' LEU . 87.8 t -49.05 -61.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.185 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.3 t -58.74 -51.26 70.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -43.96 -58.62 2.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.872 HG21 HD11 ' A' ' 112' ' ' LEU . 81.5 p -65.49 135.75 55.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -51.75 -33.73 36.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -94.86 158.84 15.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.807 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -83.01 98.02 9.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.872 HD11 HG21 ' A' ' 108' ' ' THR . 84.9 mt -69.95 107.04 3.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.408 HG13 ' HD2' ' A' ' 114' ' ' PRO . 97.5 t -76.62 132.12 72.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.562 0.696 . . . . 0.0 111.148 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.408 ' HD2' HG13 ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.73 151.93 69.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -106.7 133.71 50.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 41.5 tp -140.11 147.38 40.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.02 111.31 5.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.868 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -139.4 144.93 38.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.943 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -138.35 168.49 19.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.52 140.24 3.5 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 t -164.81 137.44 4.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.905 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -103.43 173.6 6.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.67 56.12 3.8 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -76.61 -4.35 42.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.1 t -109.95 -31.49 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HG ' ' CG ' ' A' ' 13' ' ' GLU . 11.7 tp -87.74 44.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.77 1.31 50.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.86 35.05 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.405 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 11.6 mm-40 -90.02 132.01 35.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -151.64 -177.08 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.59 163.79 36.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -130.3 21.29 5.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -77.03 55.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.04 48.23 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.85 34.77 2.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -114.34 -44.53 3.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 p -132.03 150.45 76.13 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.655 0.741 . . . . 0.0 111.086 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.06 15.16 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 t -74.99 -37.25 61.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -57.73 -37.13 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -55.43 146.82 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.707 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.56 153.13 32.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -93.63 104.8 16.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.437 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 4.3 m -150.38 171.75 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 m -95.97 144.31 26.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 27.8 ptt180 -42.41 -42.1 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.827 HD22 ' H ' ' A' ' 31' ' ' LEU . 2.0 mm? -51.34 -57.71 8.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 35' ' ' LEU . 15.3 mm-40 -66.44 -61.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.804 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -33.84 -38.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 32' ' ' GLU . 6.0 tt0 -64.94 -48.51 73.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.695 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -77.38 -19.23 56.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 33' ' ' ALA . 12.0 mt -62.94 -20.08 64.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.564 HD21 HD23 ' A' ' 47' ' ' LEU . 18.1 mt -75.25 -58.47 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -37.75 72.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -60.69 -56.05 25.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -116.3 78.14 7.94 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.664 0.745 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -50.15 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.629 2.219 . . . . 0.0 112.358 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -51.28 -28.57 12.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.4 m -84.34 35.69 0.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.79 -176.07 11.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -128.82 -29.46 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 115' ' ' PHE . 10.9 tp -64.19 98.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.707 HD13 HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -123.55 153.85 40.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.998 179.867 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 47' ' ' LEU . 8.1 mp -115.8 123.63 48.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 30' ' ' ARG . 12.4 ptt85 -122.59 147.5 50.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.561 0.696 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 127.34 14.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.2 p -95.72 169.19 10.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -137.99 -62.88 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -81.9 102.29 10.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.12 -58.74 0.44 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -167.06 172.94 9.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.838 0.351 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -93.5 84.55 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.8 -134.87 1.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.8 p -145.33 143.13 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 111.1 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 m -95.99 155.0 16.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.27 108.79 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.9 m -89.61 112.62 23.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.1 p -122.6 118.77 28.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' CB ' HD13 ' A' ' 37' ' ' LEU . 10.2 ttp85 -108.88 92.17 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -82.64 -176.96 6.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.0 tpt -128.58 105.22 8.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 68' ' ' GLY . 4.0 t-160 -105.97 -173.9 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' HIS . 0.4 OUTLIER -33.32 93.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 66' ' ' HIS . . . 35.37 34.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.561 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.451 ' CG2' ' HB3' ' A' ' 66' ' ' HIS . 11.3 t -139.92 131.99 27.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.81 0.338 . . . . 0.0 111.189 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.45 ' H ' ' CD2' ' A' ' 70' ' ' HIS . 7.9 p80 -96.9 107.67 20.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.88 145.07 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 68.1 t -124.36 96.72 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -96.99 153.72 17.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -128.08 121.67 30.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -108.25 121.57 45.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -93.43 140.2 29.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 85' ' ' VAL . 99.1 t -113.42 115.37 49.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.156 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 85' ' ' VAL . 20.3 ttpt -69.48 156.98 38.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -108.14 128.43 54.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -150.02 105.85 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.01 -157.48 35.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.47 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 -6.97 19.82 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.792 2.328 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.9 pttm -110.42 152.64 26.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -102.04 140.9 35.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 77' ' ' VAL . 69.7 t -116.48 130.31 71.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.537 HG22 HG22 ' A' ' 88' ' ' VAL . 46.5 mt -86.67 142.19 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 4.7 t70 -89.01 66.09 7.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.537 HG22 HG22 ' A' ' 86' ' ' ILE . 4.1 m -132.97 -175.88 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 88' ' ' VAL . 2.9 pt-20 -33.25 -62.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -111.68 138.75 21.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.511 0.672 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 86.57 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.683 2.255 . . . . 0.0 112.285 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 103' ' ' TYR . 45.3 t80 -74.73 112.48 10.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.1 p -98.57 137.58 37.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.56 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 21.5 p -126.65 -175.11 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.0 t -100.94 -14.74 17.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' LEU . 76.8 p -168.91 143.44 3.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' SER . 0.8 OUTLIER -32.89 -49.78 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 97' ' ' LEU . 9.7 t0 -36.22 -64.38 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.56 ' HB3' ' HB2' ' A' ' 94' ' ' CYS . . . -38.94 -52.88 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.089 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.428 HG11 HG21 ' A' ' 77' ' ' VAL . 61.5 t -39.45 -44.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.183 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.02 -36.19 74.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 99' ' ' ALA . 16.3 m-80 -72.81 -39.77 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.483 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 60.1 t80 -44.06 -49.62 8.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 106' ' ' SER . 49.4 m-85 -59.9 -57.77 11.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 104' ' ' PHE . 98.8 t -35.86 -33.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 104' ' ' PHE . 1.7 t -90.29 -52.99 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 107' ' ' HIS . 1.9 t60 -50.11 -52.46 34.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.542 HG21 ' HA ' ' A' ' 111' ' ' ALA . 6.9 t -34.27 131.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 110' ' ' LYS . 20.4 ptmt -43.69 -45.59 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 109' ' ' LYS . 10.2 mmmt -116.85 -69.76 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.542 ' HA ' HG21 ' A' ' 108' ' ' THR . . . -163.34 174.87 11.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 tp -162.35 110.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.5 HG13 ' HD2' ' A' ' 114' ' ' PRO . 91.2 t -77.13 134.41 67.64 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.66 0.743 . . . . 0.0 111.108 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.5 ' HD2' HG13 ' A' ' 113' ' ' VAL . 53.6 Cg_endo -69.76 169.23 19.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.256 . . . . 0.0 112.39 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 46' ' ' LEU . 18.7 t80 -118.99 113.91 21.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.442 HD12 ' H ' ' A' ' 117' ' ' LEU . 37.3 tp -126.21 143.09 51.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.442 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -134.55 106.8 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.98 179.815 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.903 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 m -161.05 150.81 17.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.938 0.399 . . . . 0.0 110.801 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 m -164.01 171.67 14.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.85 111.64 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.51 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 p -162.91 172.15 15.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.895 0.379 . . . . 0.0 110.889 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' GLY . 81.0 p -130.23 103.08 6.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.73 79.43 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.51 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -68.15 -7.73 32.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 9' ' ' VAL . 27.2 m -138.08 111.81 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 tt -137.98 107.38 6.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.07 2.8 12.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -68.68 -12.94 62.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -108.08 127.24 53.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -149.74 171.82 16.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -152.34 151.95 31.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 17' ' ' ARG . 24.9 ptt180 -123.83 -14.85 7.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 16' ' ' ARG . 12.1 ptm180 34.11 53.21 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.03 43.06 2.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.733 ' H ' HD23 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -88.67 -37.59 15.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.946 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -127.86 -39.27 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.544 HG22 HD12 ' A' ' 97' ' ' LEU . 1.1 p -123.91 149.13 58.92 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.57 0.7 . . . . 0.0 111.146 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 157.36 60.8 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 m -56.75 -48.56 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.6 p -40.28 -45.22 2.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 6.6 t80 -46.96 148.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.591 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.53 152.15 31.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -90.79 104.82 17.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 m -151.86 166.26 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.0 m -89.42 151.81 21.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -38.74 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.797 HD22 ' H ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -60.31 -46.88 88.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.596 ' OE1' HD21 ' A' ' 35' ' ' LEU . 14.1 mm-40 -68.5 -64.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.705 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -34.06 -33.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' GLU . 38.1 tt0 -73.17 -68.05 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.634 ' C ' HD12 ' A' ' 35' ' ' LEU . 3.2 pp -52.35 -26.69 12.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' ' 33' ' ' ALA . 19.9 mt -58.36 -26.66 63.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.477 HD21 HD23 ' A' ' 47' ' ' LEU . 23.3 mt -72.1 -60.31 2.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 8.5 pt-20 -62.07 -38.43 88.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.517 ' HD2' HD13 ' A' ' 35' ' ' LEU . 15.5 mtp85 -59.48 -54.3 48.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -117.0 81.01 11.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.637 0.732 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 -36.2 11.13 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.339 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -67.79 -54.22 20.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.1 m -39.47 -46.17 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 154.77 -175.9 32.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.59 HD21 HD11 ' A' ' 112' ' ' LEU . 6.5 p-10 -132.32 -32.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.66 ' HB2' HD23 ' A' ' 112' ' ' LEU . 10.5 tp -78.79 90.77 4.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.591 HD13 HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -112.16 157.84 20.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 47' ' ' LEU . 5.8 mp -124.49 115.8 21.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.06 140.61 37.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.549 0.69 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.72 132.91 24.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.7 t -67.74 114.39 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.31 -158.65 53.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.71 81.82 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.57 88.12 1.81 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.05 159.2 42.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.56 86.48 4.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 128.32 175.5 14.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.504 HG22 ' N ' ' A' ' 59' ' ' SER . 7.8 p -136.51 158.1 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 111.191 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.504 ' N ' HG22 ' A' ' 58' ' ' VAL . 1.8 m -111.17 156.99 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.451 HG12 HG23 ' A' ' 62' ' ' THR . 21.7 t -116.33 121.84 68.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 m -102.69 106.0 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.451 HG23 HG12 ' A' ' 60' ' ' VAL . 50.0 p -121.94 139.35 53.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.7 ttp85 -131.75 92.37 3.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.8 mp0 -90.68 154.37 19.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.4 tpt -79.93 121.47 25.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.554 ' O ' HG22 ' A' ' 69' ' ' THR . 47.6 t60 -148.33 143.68 27.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.819 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 44.47 41.09 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 43.68 38.45 4.25 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 66' ' ' HIS . 5.5 t -139.74 156.0 47.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.84 0.352 . . . . 0.0 111.135 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -91.95 106.56 18.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.796 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.0 p -111.52 133.82 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.14 119.04 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -110.42 159.65 17.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -130.51 140.13 50.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -129.73 118.25 21.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -92.66 148.23 22.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.1 t -123.5 123.27 67.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.7 150.07 32.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -111.76 104.67 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -144.33 114.68 7.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.39 -165.35 54.34 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.445 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.89 2.02 3.99 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.606 2.204 . . . . 0.0 112.284 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.01 167.04 18.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -126.62 107.84 10.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 85' ' ' VAL . 27.0 m -79.47 115.11 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.486 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 64.8 mt -56.65 153.31 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.427 ' N ' HG22 ' A' ' 86' ' ' ILE . 3.3 t70 -87.7 64.34 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 90' ' ' GLN . 2.1 m -127.84 178.3 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' VAL . 0.5 OUTLIER -34.12 -47.65 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 88' ' ' VAL . 58.3 mt-30 -124.19 140.21 34.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 91.94 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.738 ' CD2' ' CD1' ' A' ' 103' ' ' TYR . 34.4 t80 -74.85 102.57 4.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.1 p -71.24 116.18 11.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.804 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 26.6 p -114.21 131.04 56.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.0 p -59.15 -36.07 74.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 t -153.04 179.07 9.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.544 HD12 HG22 ' A' ' 21' ' ' THR . 11.6 mt -65.12 -45.2 86.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.33 -49.04 9.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -54.3 -38.77 66.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.9 t -52.97 -45.16 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.489 HG13 HD21 ' A' ' 46' ' ' LEU . 66.0 t -57.28 -34.33 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -82.06 -22.83 36.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.738 ' CD1' ' CD2' ' A' ' 92' ' ' PHE . 90.6 t80 -54.3 -51.34 64.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.416 ' O ' HG23 ' A' ' 108' ' ' THR . 42.8 m-85 -73.69 -37.49 65.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 101' ' ' VAL . 4.6 t -42.8 -52.52 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.201 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -58.39 -67.24 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.809 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.444 ' NE2' ' O ' ' A' ' 103' ' ' TYR . 2.8 m-70 -41.44 -68.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 109' ' ' LYS . 72.4 p -36.84 155.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 108' ' ' THR . 15.0 tptt -33.29 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.29 -52.91 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -175.12 159.79 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.056 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.66 HD23 ' HB2' ' A' ' 46' ' ' LEU . 9.8 tp -116.75 115.27 25.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.57 119.09 29.97 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.561 0.696 . . . . 0.0 111.222 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.98 18.59 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.71 2.273 . . . . 0.0 112.306 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -79.17 140.5 37.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.5 tp -147.44 131.9 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.99 112.24 17.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.962 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.863 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 p -170.59 136.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.825 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 t -169.4 166.82 10.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.62 49.28 0.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -173.47 114.49 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -37.99 -44.19 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.62 83.43 0.14 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.436 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -98.21 -4.51 35.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -92.32 -30.79 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.53 107.26 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -37.06 -72.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -163.49 105.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -66.44 169.05 7.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -124.72 153.27 42.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -157.48 165.85 34.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.86 25.08 6.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HE ' HD12 ' A' ' 19' ' ' LEU . 40.6 ttt180 -55.57 96.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.66 44.43 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.428 HD12 ' HE ' ' A' ' 17' ' ' ARG . 72.8 mt -74.4 -61.38 1.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.854 ' HG3' HG23 ' A' ' 21' ' ' THR . 4.7 pt-20 -60.23 -40.76 91.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.854 HG23 ' HG3' ' A' ' 20' ' ' GLU . 1.2 p -123.34 150.7 61.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.573 0.702 . . . . 0.0 111.092 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 146.94 61.27 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.688 2.258 . . . . 0.0 112.317 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.2 m -43.1 -48.01 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.3 m -38.26 -44.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.466 ' CZ ' ' HD3' ' A' ' 50' ' ' PRO . 51.6 t80 -50.54 154.63 1.27 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.707 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.25 152.93 32.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -94.74 104.97 16.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.507 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 3.0 m -148.67 175.22 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.2 m -82.5 160.34 22.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.476 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 3.7 tmt_? -56.07 -42.37 76.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.82 -45.15 53.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' O ' HD23 ' A' ' 36' ' ' LEU . 15.0 mt-10 -53.59 -60.21 3.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.507 ' HB2' ' CG2' ' A' ' 28' ' ' VAL . . . -41.89 -30.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -73.52 -45.73 51.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.59 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -70.04 -33.34 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 32' ' ' GLU . 4.3 mm? -53.81 -16.61 1.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' A' ' 63' ' ' ARG . 95.8 mt -81.54 -56.38 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.61 -31.7 70.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -73.8 -51.93 14.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -119.54 71.45 13.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 110.997 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -44.84 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -60.14 -26.71 66.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.7 m -65.48 -43.11 91.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.07 167.34 21.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.634 HD22 HD21 ' A' ' 112' ' ' LEU . 13.1 t30 -118.87 -27.95 5.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.804 ' HB2' HD23 ' A' ' 112' ' ' LEU . 6.1 tp -90.33 97.72 11.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.707 HD13 HD11 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -116.81 157.2 25.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.977 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.516 ' HG ' HG22 ' A' ' 60' ' ' VAL . 6.8 mp -120.36 118.54 30.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.476 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 7.4 ptm180 -116.17 148.05 40.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.662 0.744 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.466 ' HD3' ' CZ ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.9 150.61 67.59 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.284 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.7 t -102.71 107.85 18.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.67 -137.21 46.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -125.16 -54.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -108.39 76.77 0.22 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.469 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -137.4 164.2 29.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.75 0.31 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.06 88.31 2.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.827 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.62 147.38 7.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.2 m -102.83 170.44 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -112.44 139.3 48.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.516 HG22 ' HG ' ' A' ' 48' ' ' LEU . 60.4 t -99.57 128.97 50.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 60.8 m -110.52 105.42 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.474 HG23 HG12 ' A' ' 60' ' ' VAL . 29.8 p -119.4 138.13 53.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.417 ' H ' ' CG ' ' A' ' 45' ' ' ASN . 6.7 tmm_? -123.24 95.67 4.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.92 140.81 31.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.2 tpt -73.55 98.37 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -121.32 142.91 49.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 45.34 28.89 0.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 54.87 36.81 60.71 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.422 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.491 HG23 HG23 ' A' ' 71' ' ' VAL . 5.1 t -139.7 135.47 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.925 0.393 . . . . 0.0 111.163 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -62.83 119.41 9.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.826 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.491 HG23 HG23 ' A' ' 69' ' ' THR . 46.4 t -135.68 131.42 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 62.1 t -115.34 115.13 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.9 tpt85 -99.67 134.99 41.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -111.04 129.87 55.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -115.64 126.53 54.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -93.19 131.52 38.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.972 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.6 t -95.58 115.86 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -63.31 179.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.1 tpt85 -142.21 106.68 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -144.11 113.95 7.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 56.8 -159.98 8.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.533 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 2.5 3.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -122.64 169.55 10.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -119.7 173.63 6.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 t -142.18 131.1 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.525 HG22 HG13 ' A' ' 88' ' ' VAL . 56.4 mt -76.25 154.95 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.452 ' N ' HG22 ' A' ' 86' ' ' ILE . 4.1 t70 -89.52 43.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.525 HG13 HG22 ' A' ' 86' ' ' ILE . 18.9 m -111.36 -179.8 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -40.72 -64.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -97.26 133.37 24.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.611 0.719 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 81.02 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -65.49 124.63 22.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.4 p -97.88 145.94 25.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.404 ' SG ' ' CG2' ' A' ' 100' ' ' VAL . 13.1 p -145.71 160.79 41.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.813 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.1 p -80.97 -40.4 24.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -146.86 155.15 42.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.535 HD12 HG22 ' A' ' 21' ' ' THR . 19.4 mt -43.55 -38.61 3.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.89 -59.55 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.22 -49.9 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.404 ' CG2' ' SG ' ' A' ' 94' ' ' CYS . 71.6 t -45.78 -53.78 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 105' ' ' VAL . 73.2 t -44.75 -45.12 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -68.93 -48.75 62.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -38.93 -50.04 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.995 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.439 ' O ' HG22 ' A' ' 108' ' ' THR . 41.0 m-85 -63.77 -43.98 94.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 101' ' ' VAL . 70.2 t -49.23 -34.62 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.6 t -87.36 -56.65 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' A' ' 107' ' ' HIS . 2.3 t60 -43.58 -53.34 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 104' ' ' PHE . 9.6 t -47.12 136.43 8.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 110' ' ' LYS . 4.6 ptmm? -47.85 -43.75 28.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 111' ' ' ALA . 18.4 mtpp -122.95 123.37 40.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 110' ' ' LYS . . . -34.59 113.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.049 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.804 HD23 ' HB2' ' A' ' 46' ' ' LEU . 6.3 tp -91.12 157.57 17.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.427 HG13 ' HD2' ' A' ' 114' ' ' PRO . 95.1 t -106.04 133.02 20.41 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.651 0.739 . . . . 0.0 111.148 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.427 ' HD2' HG13 ' A' ' 113' ' ' VAL . 53.7 Cg_endo -69.77 165.33 31.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.342 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.52 ' CD2' HD21 ' A' ' 26' ' ' LEU . 60.0 t80 -111.11 133.77 53.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.1 tp -148.54 134.36 18.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.91 108.9 12.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 m -114.37 158.65 21.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.398 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 t -94.56 -58.7 2.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.88 145.58 4.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -106.04 156.37 18.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.844 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -86.04 88.46 7.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.14 75.32 0.55 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.558 ' HG3' HG13 ' A' ' 9' ' ' VAL . 17.1 pt-20 -58.87 -10.95 2.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.558 HG13 ' HG3' ' A' ' 8' ' ' GLU . 20.6 m -140.07 113.82 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.422 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.7 tt -133.3 51.11 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.87 4.71 14.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.81 19.9 6.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -81.91 166.8 19.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 52.42 25.07 3.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.46 23.7 14.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -81.84 -11.33 59.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 6.5 mpt_? -77.91 102.66 7.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.5 44.05 2.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 20' ' ' GLU . 4.0 pp -100.9 -39.72 7.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.474 ' O ' HD12 ' A' ' 97' ' ' LEU . 38.3 mm-40 -61.5 -47.86 83.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.555 HG22 HD12 ' A' ' 97' ' ' LEU . 1.6 p -143.65 152.33 55.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.594 0.711 . . . . 0.0 111.118 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 155.11 66.75 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.266 . . . . 0.0 112.358 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -54.64 -53.92 48.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.455 ' HA ' HD13 ' A' ' 116' ' ' LEU . 31.9 m -40.01 -41.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -45.48 152.5 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.82 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.18 154.85 36.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.442 ' CD ' ' HG3' ' A' ' 50' ' ' PRO . 27.6 mmtp -99.19 104.74 16.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 3.7 m -148.05 173.55 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.6 m -85.39 148.95 25.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.458 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 10.4 ptp85 -44.61 -46.13 9.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 22.8 mt -71.63 -39.2 70.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.671 ' HA ' HD23 ' A' ' 35' ' ' LEU . 44.6 mt-10 -60.47 -60.33 3.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -34.59 -37.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.45 -46.1 74.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.725 HD13 HH11 ' A' ' 39' ' ' ARG . 0.7 OUTLIER -57.98 -31.45 66.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 115' ' ' PHE . 2.5 mp -72.35 -32.82 66.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' A' ' 63' ' ' ARG . 75.8 mt -56.4 -41.74 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -88.33 -47.25 8.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.725 HH11 HD13 ' A' ' 35' ' ' LEU . 6.5 mtt85 -51.05 -49.08 61.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.58 ' CE2' HD11 ' A' ' 117' ' ' LEU . 8.8 m-85 -109.9 80.95 1.87 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 110.914 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -19.17 36.25 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 43' ' ' CYS . 16.7 pt-20 -83.46 -46.44 12.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 42' ' ' GLU . 69.3 m -44.43 -56.11 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 149.28 -171.13 29.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -119.35 -41.86 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.72 90.91 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.82 HD13 HD11 ' A' ' 26' ' ' LEU . 1.4 pp -117.73 138.13 52.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mp -97.83 129.97 44.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 8.8 ptm180 -121.92 152.42 59.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.608 0.718 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.442 ' HG3' ' CD ' ' A' ' 27' ' ' LYS . 54.2 Cg_endo -69.74 126.67 13.59 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.6 t -81.28 150.12 28.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . -141.29 -100.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER -34.52 -48.82 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.331 . . . . 0.0 110.802 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.37 -66.16 2.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -170.09 176.43 4.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.071 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.57 97.68 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.71 -140.49 4.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.5 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.9 t -138.29 140.32 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 m -111.8 160.51 17.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.9 t -121.75 136.6 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.17 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.0 m -120.06 122.1 40.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.4 p -128.85 142.83 50.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.155 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.527 ' HD3' HG22 ' A' ' 72' ' ' VAL . 8.4 tpp85 -103.8 88.21 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -112.28 129.21 56.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.4 ptm -90.86 136.11 33.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.888 ' O ' HG22 ' A' ' 69' ' ' THR . 73.5 t60 -129.42 159.32 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 41.69 33.02 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.51 41.04 99.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.439 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.888 HG22 ' O ' ' A' ' 66' ' ' HIS . 10.1 t -141.27 150.81 43.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 111.103 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -81.41 109.44 15.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.826 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.474 HG23 HG23 ' A' ' 69' ' ' THR . 67.8 t -139.71 135.49 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.527 HG22 ' HD3' ' A' ' 63' ' ' ARG . 83.9 t -105.99 138.53 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.177 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 12.3 tpt180 -117.83 150.14 39.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.435 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 22.4 p80 -127.77 132.25 49.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -108.91 162.15 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -129.3 153.64 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.4 t -130.0 120.99 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 79' ' ' ARG . 44.0 tttt -87.2 151.41 23.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.462 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 5.0 tmm_? -103.25 114.35 28.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -129.15 92.39 3.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.68 -157.47 39.92 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.522 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -6.05 17.67 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.51 162.38 19.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -99.86 163.02 12.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.6 t -140.68 111.59 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.7 ' CD1' ' CD2' ' A' ' 103' ' ' TYR . 73.0 mt -61.37 150.07 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -93.29 52.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.629 HG13 HG22 ' A' ' 86' ' ' ILE . 30.8 m -117.49 -179.35 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' VAL . 48.7 mt-10 -34.17 -59.04 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -110.99 139.04 21.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 85.96 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.586 ' CE2' ' HB2' ' A' ' 103' ' ' TYR . 78.9 t80 -70.82 114.06 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 86.4 p -92.74 141.99 27.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.494 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 29.2 p -143.78 160.72 40.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.0 p -85.36 -23.55 27.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.4 m -156.16 163.99 38.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.555 HD12 HG22 ' A' ' 21' ' ' THR . 13.8 mt -55.74 -46.05 77.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 97' ' ' LEU . 1.6 m-20 -37.15 -50.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.494 ' HB3' ' HB2' ' A' ' 94' ' ' CYS . . . -54.2 -42.59 69.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 97' ' ' LEU . 67.0 t -46.02 -53.77 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.782 ' O ' HG23 ' A' ' 105' ' ' VAL . 78.2 t -49.23 -42.4 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -67.84 -46.31 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.7 ' CD2' ' CD1' ' A' ' 86' ' ' ILE . 69.0 t80 -43.56 -53.58 5.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -63.66 -53.43 51.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 101' ' ' VAL . 89.7 t -40.27 -50.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.6 t -76.16 -44.07 39.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -44.48 -64.06 0.77 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.0 t -61.61 157.54 17.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.169 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 -21.7 23.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -91.15 162.12 14.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.22 81.1 5.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.88 163.63 7.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.3 t -124.44 128.07 25.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.618 0.723 . . . . 0.0 111.139 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 148.19 64.8 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.607 2.205 . . . . 0.0 112.386 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 36' ' ' LEU . 2.7 t80 -92.75 111.96 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 24' ' ' CYS . 57.6 tp -131.17 138.44 49.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.58 HD11 ' CE2' ' A' ' 40' ' ' TYR . 2.3 tt -132.3 105.91 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.529 ' O ' HD23 ' A' ' 117' ' ' LEU . 6.8 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 m -157.87 164.84 36.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.915 0.388 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 t -163.98 147.75 9.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.42 -116.82 0.74 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.527 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m 51.47 44.84 28.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -101.01 40.36 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.71 73.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.442 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -58.36 -14.35 7.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 0.0 110.955 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 m -144.03 119.81 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.406 HD21 ' CD ' ' A' ' 13' ' ' GLU . 19.4 tp -126.67 76.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.69 3.62 29.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.048 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -75.83 -31.36 59.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.406 ' CD ' HD21 ' A' ' 10' ' ' LEU . 25.5 mt-10 -65.75 -54.54 25.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -104.71 146.48 28.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.95 141.1 1.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -88.19 28.43 1.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -86.52 41.73 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.11 54.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.843 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -116.52 4.51 13.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.451 ' N ' HD13 ' A' ' 19' ' ' LEU . 22.0 mt-10 -82.38 -34.19 28.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 p -144.16 152.81 55.4 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.543 0.687 . . . . 0.0 111.104 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 143.66 51.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.614 2.21 . . . . 0.0 112.399 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.8 p -44.38 -52.71 7.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.409 ' SG ' HD13 ' A' ' 48' ' ' LEU . 15.8 p -42.87 -39.22 2.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -46.96 150.07 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.72 HD11 HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -152.35 155.74 38.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -101.24 104.77 15.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.495 ' CG2' ' HB2' ' A' ' 33' ' ' ALA . 3.9 m -146.69 174.36 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 28' ' ' VAL . 4.9 t -81.12 -176.24 5.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 49' ' ' ARG . 26.6 ptt180 -69.3 -49.84 52.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 26.6 mt -74.29 -39.08 63.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.01 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -50.86 -63.77 1.02 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.796 ' HB1' HD11 ' A' ' 47' ' ' LEU . . . -39.58 -40.87 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -59.51 -70.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.618 ' C ' HD12 ' A' ' 35' ' ' LEU . 1.1 pp -51.33 -35.38 37.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 tp -49.85 -24.73 2.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.53 ' CD2' HD23 ' A' ' 47' ' ' LEU . 56.2 mt -71.66 -64.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -58.64 -30.09 67.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' A' ' 35' ' ' LEU . 17.1 mmt180 -65.49 -51.04 62.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.4 ' CD1' ' HB3' ' A' ' 39' ' ' ARG . 21.6 m-85 -125.84 73.38 70.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.684 0.754 . . . . 0.0 110.932 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -36.37 10.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -63.96 -26.9 68.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.9 m -87.3 35.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.26 178.03 50.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.401 HD22 HD21 ' A' ' 112' ' ' LEU . 0.4 OUTLIER -130.04 -44.06 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.915 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.563 ' HB2' HD23 ' A' ' 112' ' ' LEU . 3.6 tp -58.04 89.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.796 HD11 ' HB1' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -112.33 135.81 52.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.856 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.666 ' HG ' HG22 ' A' ' 60' ' ' VAL . 6.5 mp -97.65 121.39 39.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 7.0 ptm180 -114.27 139.73 24.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.609 0.719 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.595 ' HA ' HG23 ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.76 153.44 68.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.749 2.299 . . . . 0.0 112.294 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.7 t -46.91 -45.01 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.75 -33.16 6.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.431 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -90.07 48.4 1.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.833 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 41.51 83.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -152.86 172.67 16.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -86.59 -49.89 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.87 157.2 2.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.595 HG23 ' HA ' ' A' ' 50' ' ' PRO . 7.4 p -138.79 160.11 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 111.167 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.471 ' N ' HG22 ' A' ' 58' ' ' VAL . 24.6 t -120.6 162.12 20.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.666 HG22 ' HG ' ' A' ' 48' ' ' LEU . 94.3 t -120.55 132.84 69.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.6 m -110.09 114.67 28.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.086 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.1 p -128.39 128.6 44.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.456 ' HB2' HD13 ' A' ' 37' ' ' LEU . 34.5 ttt180 -120.23 107.74 13.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -116.06 153.58 31.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.6 tpt -82.95 106.92 15.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.723 ' O ' HG22 ' A' ' 69' ' ' THR . 35.2 m80 -123.02 145.41 48.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 m120 41.32 43.13 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.04 41.43 6.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.543 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.723 HG22 ' O ' ' A' ' 66' ' ' HIS . 15.0 t -140.12 164.92 28.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.817 0.341 . . . . 0.0 111.169 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -95.84 118.02 31.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.446 HG23 HG23 ' A' ' 69' ' ' THR . 89.0 t -137.61 134.22 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.439 HG22 ' HG3' ' A' ' 63' ' ' ARG . 94.2 t -118.82 116.11 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.423 ' NH1' ' HA ' ' A' ' 75' ' ' TYR . 2.0 tmt_? -104.61 146.91 28.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -126.21 114.33 18.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.423 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 66.3 m-85 -88.97 134.28 34.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 87' ' ' ASP . 5.6 ttpm? -99.9 151.66 21.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.8 t -129.61 137.11 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 79' ' ' ARG . 34.8 tttp -93.64 152.52 18.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.402 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 0.8 OUTLIER -110.83 102.4 10.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -124.23 96.04 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.57 -152.77 51.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -6.36 18.4 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -110.16 160.78 16.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -118.75 104.27 10.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.938 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.08 108.96 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.586 ' CG2' HG13 ' A' ' 88' ' ' VAL . 54.4 mt -52.02 148.0 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 1.6 t70 -94.79 45.85 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.586 HG13 ' CG2' ' A' ' 86' ' ' ILE . 20.4 m -108.59 176.55 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 88' ' ' VAL . 10.5 tp10 -34.68 -48.81 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -116.28 132.73 23.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.701 0.763 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 87.05 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.702 2.268 . . . . 0.0 112.366 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -76.58 102.51 6.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.2 p -87.02 121.87 30.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 31.1 p -123.93 -177.62 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.8 p -87.02 -43.42 12.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -149.71 178.53 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 98' ' ' ASP . 46.4 mt -57.08 -42.25 80.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' LEU . 43.6 t0 -37.88 -58.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.2 -57.25 7.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 78.3 t -38.17 -55.54 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.512 ' O ' HG23 ' A' ' 105' ' ' VAL . 57.4 t -43.85 -48.21 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -66.63 -39.13 88.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -53.18 -50.22 65.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -59.87 -47.08 87.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 101' ' ' VAL . 85.0 t -48.01 -59.09 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.195 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.5 t -61.26 -54.87 38.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -42.96 -54.42 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.844 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 109' ' ' LYS . 25.4 p -60.44 130.19 45.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 108' ' ' THR . 35.1 ttpt -36.75 -58.69 0.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.809 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.59 136.63 44.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.55 104.07 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.563 HD23 ' HB2' ' A' ' 46' ' ' LEU . 6.3 tp -76.12 161.88 28.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.456 HG13 ' HD2' ' A' ' 114' ' ' PRO . 53.7 t -103.31 133.58 20.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.631 0.729 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.456 ' HD2' HG13 ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.85 154.84 66.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.627 2.218 . . . . 0.0 112.294 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.402 ' HB3' ' CB ' ' A' ' 47' ' ' LEU . 2.6 t80 -98.48 115.21 28.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 42.4 tp -130.18 132.88 46.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 tp -137.02 109.65 7.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.819 . . . . . . . . 0 0 . 1 stop_ save_