data_5joj_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 5joj _Structure_validation_residue.Date_analyzed 2017-04-14 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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 mmt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.788 0.328 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.94 137.36 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.019 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.9 ttp85 -68.29 -68.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.46 16.31 2.69 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.534 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -57.41 175.2 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.959 0.409 . . . . 0.0 110.795 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.1 t -145.1 127.61 10.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.158 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 t -69.53 166.54 18.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -58.56 -56.29 24.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -57.99 -58.29 9.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -51.28 -54.28 27.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.8 tpt -49.7 -62.23 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.08 -52.35 9.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -51.08 -48.2 61.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 2.6 mt -63.24 -46.26 87.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -50.74 -58.73 5.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -60.65 -36.84 79.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.55 -43.65 80.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 6.5 m-85 -76.28 -43.07 43.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.77 -20.08 66.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.135 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -66.75 -59.62 3.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 m -71.39 -22.95 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.08 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -69.51 86.36 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -72.57 -32.68 66.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -95.88 -11.41 26.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.48 60.9 6.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.411 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 -108.17 -15.88 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.381 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.06 18.28 63.35 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -128.03 148.88 50.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.943 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.6 mt -130.4 107.29 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t -84.48 -173.32 4.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -73.01 -26.77 61.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -66.59 -38.09 86.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.79 -44.04 67.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.38 -49.02 77.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.07 -52.99 56.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -58.11 -32.16 67.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tp -69.5 -62.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -59.17 -32.57 70.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -36.14 63.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.75 -21.55 63.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.94 -29.74 60.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.8 t 57.96 76.66 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -126.13 158.64 65.65 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 73.84 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.764 2.309 . . . . 0.0 112.299 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 mp -144.76 154.66 55.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.571 0.7 . . . . 0.0 110.822 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -168.79 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.607 2.205 . . . . 0.0 112.331 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -88.33 -44.71 5.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -59.69 -30.72 68.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.886 0.374 . . . . 0.0 110.928 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -63.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.6 p -59.26 -39.89 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -66.81 -26.52 66.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -77.4 -50.64 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.4 pt -59.95 -39.21 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -73.11 -42.84 62.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -64.87 -47.48 77.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -66.42 -45.42 79.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.0 tp -57.36 -43.33 83.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -44.75 77.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.66 94.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.7 t -93.4 6.51 47.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.203 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -112.85 -18.34 7.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -108.27 113.32 26.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.819 0.342 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.2 mp -86.09 -43.45 13.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -72.35 -19.6 61.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 62.17 55.1 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -108.14 -20.66 13.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.18 16.82 15.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -148.42 136.15 20.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.713 0.292 . . . . 0.0 110.927 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.0 mt -103.92 132.53 50.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -95.52 167.37 11.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -50.73 -55.03 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -58.08 -41.2 82.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -55.33 -62.58 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -58.79 6.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 54.5 mt -49.35 -41.97 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -59.19 -51.65 69.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.58 -32.35 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -71.95 -40.53 68.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -82.94 -11.75 57.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -97.16 -85.78 1.79 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 44.2 mt -51.74 133.01 31.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -58.83 -176.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -51.69 103.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.99 171.88 7.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.96 -44.88 29.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.4 m -63.21 -38.65 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.45 -60.33 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -56.12 -43.79 78.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 89.3 m -61.11 -37.3 82.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -67.23 -60.68 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -51.65 -41.76 61.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -70.01 -62.05 1.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.79 -53.66 23.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.32 -25.63 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -93.72 20.52 7.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.3 mttm 64.22 15.09 9.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.831 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 mtt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.75 0.31 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.92 102.28 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -137.92 135.93 36.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.5 14.3 81.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 m -62.92 174.52 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.005 0.431 . . . . 0.0 110.779 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -145.26 133.68 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.0 m -69.12 169.6 11.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.779 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.4 -56.52 15.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.9 -47.36 86.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.86 -54.98 39.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.5 tpt -51.01 -62.03 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.04 -52.89 11.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -50.43 -50.85 50.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 2.9 mt -61.97 -43.93 97.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -51.44 -60.0 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -60.13 -35.93 76.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.76 -42.86 84.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 8.0 m-85 -75.69 -42.04 52.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.92 -20.48 65.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.083 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -67.35 -59.72 3.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.7 m -74.88 -17.97 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -77.8 63.49 2.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.7 -21.45 61.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -96.01 -11.03 27.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.21 59.91 7.83 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.2 p-10 -112.41 -16.1 12.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.895 0.378 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.67 17.37 79.95 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.485 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -133.85 160.84 36.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.851 0.357 . . . . 0.0 110.889 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.8 mt -135.06 118.6 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.2 p -90.24 -172.7 3.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -81.41 -24.22 37.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -65.89 -60.76 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -59.26 -35.7 74.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -64.51 -60.23 3.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -51.6 -47.77 63.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -63.7 -47.45 81.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -53.71 -37.97 63.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -75.3 -38.2 60.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -21.84 63.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.3 3.54 30.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.075 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.09 -20.43 39.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.3 t 64.6 48.65 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.1 mt -133.32 160.07 70.09 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.605 0.717 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 76.72 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.323 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 tp -131.5 136.35 28.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.678 0.751 . . . . 0.0 110.933 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -168.86 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.278 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.36 -41.43 6.54 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -63.07 -30.98 72.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -65.99 -63.04 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.1 p -58.48 -37.93 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -69.71 -29.94 67.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -75.16 -48.01 25.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.0 pt -64.81 -39.56 86.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.8 t -71.71 -38.3 70.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.02 -42.73 89.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -69.03 -45.29 70.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.79 -44.66 90.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -36.81 74.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.97 -39.09 79.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.1 t -96.36 6.44 48.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -108.59 -19.97 8.43 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -100.79 103.77 15.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.339 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.7 mp -83.86 -49.86 8.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.96 -19.08 62.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 63.55 41.1 7.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -84.18 -10.91 57.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.91 -13.5 49.54 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.456 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -135.73 157.73 46.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.9 mt -103.45 134.44 44.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.9 p -97.18 166.56 11.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -50.42 -54.89 18.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -55.74 -42.9 76.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.27 -62.52 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.63 -59.16 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 69.6 mt -48.73 -42.33 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -61.37 -42.89 99.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.4 -32.74 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -73.33 -39.53 65.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.89 -19.55 44.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.98 -62.66 0.96 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 mt -104.94 68.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -79.78 -2.17 42.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -100.63 28.64 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.98 144.75 36.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.32 -38.99 82.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.0 m -59.64 -36.77 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.8 -53.68 55.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -62.59 -45.09 94.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.9 m -56.61 -37.86 71.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -72.01 -59.08 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -50.85 -32.47 20.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.47 -57.01 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.71 -26.43 33.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.84 -24.27 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -94.09 22.12 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? 61.89 16.56 8.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.12 -75.43 0.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -99.78 170.06 8.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.38 59.87 0.36 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.465 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -54.68 174.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.8 t -145.72 113.51 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.1 m -52.06 159.99 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -53.06 -56.3 17.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -56.53 -57.17 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -50.66 -53.17 33.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -42.87 63.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.9 mtt -67.11 -60.73 2.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.957 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -52.15 -33.1 38.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.1 mt -76.73 -59.99 2.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -52.65 -36.71 57.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 20.7 pt-20 -75.4 -35.76 60.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.12 -37.21 84.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -75.14 -51.09 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.16 -21.08 64.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -59.88 4.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.5 m -71.61 -14.21 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.044 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -67.39 88.83 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 p -72.36 -28.93 63.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -100.65 -11.24 20.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.19 61.41 7.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -111.69 -15.85 13.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.368 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.9 18.39 59.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -130.9 153.63 48.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.945 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.5 mt -132.67 131.43 59.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 p -104.19 -171.1 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.805 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -74.19 -36.82 64.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -62.72 -43.57 98.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -58.04 -57.13 14.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.7 mt -58.75 -47.21 85.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.27 -48.6 62.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -70.3 -29.09 65.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -69.22 -43.91 73.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -81.3 -25.66 36.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -43.19 23.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.76 -19.19 63.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.01 -24.04 36.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.0 m 59.24 23.87 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -67.98 154.2 94.12 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.637 0.732 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 78.32 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.6 mt -154.69 155.5 30.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 -169.15 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.268 . . . . 0.0 112.386 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.1 -52.44 3.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -51.69 -32.15 28.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.28 -51.36 69.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.7 t -64.86 -48.12 85.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -25.45 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -76.71 -54.88 6.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.6 pt -56.77 -39.95 67.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.9 t -72.45 -38.02 68.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -65.69 -43.18 89.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -69.29 -48.2 62.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.73 -43.3 85.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 85.8 mmm -68.21 -42.94 79.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -45.36 88.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.2 t -88.83 6.27 39.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.02 -10.87 21.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.456 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -107.96 109.14 20.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.4 mp -86.1 -51.71 6.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -71.66 -14.75 62.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 63.8 26.61 14.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -71.04 -18.98 62.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.98 9.13 35.16 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.527 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -148.09 163.28 37.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.2 mt -119.85 127.44 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.8 p -93.66 169.76 10.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.67 -54.78 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -57.7 -41.24 81.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -56.89 -62.67 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.64 -57.59 10.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.9 mt -50.9 -42.4 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.199 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -58.69 -45.68 88.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.91 -34.06 64.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.64 -40.62 76.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -82.55 -16.85 47.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.85 -84.62 1.48 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.515 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.7 mt -51.61 133.26 30.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.853 0.358 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -57.79 -178.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.52 102.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.37 171.32 7.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.173 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -77.33 -44.1 30.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.4 m -62.79 -39.47 85.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.61 -57.23 13.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -57.21 -47.17 81.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.3 m -59.54 -35.3 73.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.064 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -67.55 -60.76 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -51.78 -41.24 61.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -70.38 -61.82 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.0 -56.21 13.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.62 -28.15 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.86 -65.82 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -54.67 -34.83 62.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.859 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 ptp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.836 0.351 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.35 126.52 1.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -65.22 91.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.12 42.83 2.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.464 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 m -61.31 -172.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 p -158.3 118.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.089 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.9 m -56.6 160.44 3.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -53.75 -56.4 17.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.7 -56.46 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -51.1 -53.14 36.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.11 -47.62 61.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -60.61 3.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.18 -30.73 17.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.9 mt -76.41 -61.32 1.99 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.975 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -51.29 -36.6 43.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 9.3 pt-20 -75.99 -35.62 59.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.17 -33.47 75.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -79.15 -51.71 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.59 -24.28 60.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -59.75 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.9 m -78.0 -6.27 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -77.19 61.38 2.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.37 -22.61 61.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -87.73 -11.03 49.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.832 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 54.8 47.7 70.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.525 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -112.68 -16.09 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.919 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.92 18.65 62.83 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.538 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -128.2 152.73 47.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.886 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 55.1 mt -129.14 118.43 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.9 t -92.76 -171.48 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -75.36 -27.8 59.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -68.39 -43.71 76.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.59 -56.91 16.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.9 mt -59.23 -50.07 75.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.02 -51.52 63.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -64.14 -29.9 70.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tp -69.88 -59.28 3.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -63.9 -25.72 68.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.22 -42.04 24.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.55 -22.17 63.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.62 -22.69 35.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.181 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.9 m 59.24 84.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 mp -118.71 160.22 41.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.616 0.722 . . . . 0.0 110.923 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -7.39 20.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 74.7 mt -72.82 153.92 91.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.631 0.729 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -169.36 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.706 2.27 . . . . 0.0 112.323 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.05 -50.47 5.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.546 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -55.37 -30.42 60.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.904 0.383 . . . . 0.0 110.946 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -63.34 1.34 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.5 p -57.6 -36.62 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -29.02 67.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -74.56 -48.76 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.6 pt -62.34 -40.38 87.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.078 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.9 t -72.03 -37.26 69.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -68.15 -42.81 79.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -69.26 -46.24 67.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.805 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.56 -45.49 91.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.8 mmm -67.07 -40.68 87.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.64 -47.78 74.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.9 t -86.49 6.3 31.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -114.44 13.47 20.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -131.5 115.7 16.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.32 -40.73 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -77.84 -16.33 58.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 60.53 53.08 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -112.13 -20.31 11.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.13 23.36 7.74 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -144.4 145.45 31.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.781 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.6 mt -119.47 127.82 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.048 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 t -92.09 167.86 11.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.32 -55.05 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -58.72 -40.37 83.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -56.88 -62.78 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.45 -58.38 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 80.5 mt -50.62 -45.95 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm -54.87 -44.49 74.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.5 mp -65.78 -33.27 62.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -70.89 -38.52 73.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -84.86 -17.96 36.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -89.47 -84.62 1.31 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.537 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.6 mt -51.88 135.66 29.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.883 0.373 . . . . 0.0 110.95 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -176.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -55.51 100.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.05 169.23 8.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.089 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.36 -44.17 46.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.5 m -62.14 -39.15 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.85 -61.44 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.078 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -54.2 -43.78 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.2 m -60.59 -39.49 88.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -64.8 -59.37 4.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.8 ttt85 -50.95 -48.19 61.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -64.53 -60.8 2.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.16 -57.35 6.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.033 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -24.82 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -83.72 -28.88 27.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -67.73 -30.0 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.5 mtp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.74 0.305 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.48 146.42 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.58 143.43 2.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.9 35.33 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.398 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -85.44 -170.05 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 110.902 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.8 p -165.52 129.64 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 62.0 m -73.75 167.09 22.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -58.95 -56.67 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -56.91 -58.5 7.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -51.71 -51.82 53.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.1 tpt -49.7 -63.39 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.25 -54.12 9.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -50.42 -43.47 54.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 5.4 mt -65.12 -48.38 73.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.5 mmm-85 -51.51 -58.71 5.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.18 -38.44 83.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.91 -43.46 77.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 6.2 m-85 -75.37 -52.94 9.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.68 -25.07 37.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -58.82 -59.71 5.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.5 m -77.69 -22.0 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -69.83 84.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.798 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -54.84 7.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -70.94 -11.17 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.57 55.54 30.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.3 p-10 -97.82 -15.61 20.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.902 0.382 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.61 18.32 62.14 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -134.77 154.97 51.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.795 0.331 . . . . 0.0 110.994 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.4 mt -132.22 116.29 28.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -90.23 -171.6 3.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -74.03 -32.78 63.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.811 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -64.39 -41.5 96.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.2 -56.57 19.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.22 -49.69 76.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -51.08 -47.21 61.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.59 -29.63 64.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.28 -45.63 69.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -75.87 -31.52 59.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.38 -44.45 44.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.99 -24.83 41.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.77 -22.63 37.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.0 m 58.77 48.07 11.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.4 mt -79.67 159.2 72.21 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.525 0.679 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -5.07 15.39 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.61 2.206 . . . . 0.0 112.375 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.8 152.64 93.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.568 0.699 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.2 Cg_endo -69.84 -165.37 0.15 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.3 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.31 -53.29 3.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -52.04 -26.54 11.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.855 0.359 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.422 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 2.5 tpt180 -64.4 -63.58 1.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -57.42 -38.19 61.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -69.93 -29.95 67.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -74.65 -48.65 25.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.5 pt -63.73 -40.31 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.4 t -71.31 -36.63 71.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.49 -44.35 82.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -68.91 -47.56 65.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -42.59 87.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 78.4 mmm -67.96 -42.1 81.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.69 -55.06 19.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.5 t -74.93 -6.07 47.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.78 -22.18 19.04 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.505 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -91.44 99.03 12.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 mp -80.77 -52.18 7.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.79 -17.02 62.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 63.75 52.32 2.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -102.57 -5.61 23.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.97 -16.81 46.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.537 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.23 178.72 6.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.766 0.317 . . . . 0.0 110.891 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.1 mt -125.37 132.47 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 p -93.82 166.69 12.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -49.58 -55.57 13.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.06 -42.15 84.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -57.06 -62.79 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.59 -59.06 5.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 58.6 mt -50.17 -42.57 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -58.02 -45.33 87.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.18 -34.59 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -69.64 -39.22 77.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -84.62 -15.3 46.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.68 -65.1 1.1 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.2 mt -51.38 129.01 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.335 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -51.24 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.8 t -153.0 85.8 1.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.46 144.8 28.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.41 -41.55 97.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.1 m -52.5 -33.84 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.39 -57.12 5.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -59.4 -34.67 72.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.5 m -68.55 -43.61 76.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -63.24 -55.53 24.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -54.55 -49.76 69.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -62.62 -55.7 24.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.39 -56.85 14.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -24.84 18.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.21 -37.27 86.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -56.88 -24.46 51.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.83 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ttt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.779 0.324 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.54 35.78 11.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.078 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -56.98 105.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.6 58.5 0.82 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p -54.37 174.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.9 t -145.74 115.2 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.063 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.1 p -52.73 159.89 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -52.52 -56.23 16.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -56.48 -57.69 11.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -50.2 -53.01 30.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -42.99 63.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mtt -68.44 -61.32 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -51.45 -31.47 23.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.8 mt -79.12 -61.01 2.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -51.84 -37.19 50.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 1.4 pp20? -75.5 -37.24 60.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.783 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.62 -36.11 77.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -75.94 -52.78 9.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.03 -18.6 58.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -64.76 -59.87 3.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.1 m -70.51 -23.03 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -76.18 82.78 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -32.76 74.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 p30 -85.26 -11.1 55.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.61 41.09 99.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 -87.21 -15.81 37.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.97 18.49 72.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -129.44 148.5 51.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.783 0.325 . . . . 0.0 110.969 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.0 mt -130.42 121.62 51.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.8 p -97.59 176.77 5.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -63.17 -25.78 68.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -68.75 -50.1 53.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.75 -43.1 94.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.0 tp -62.25 -62.09 2.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -51.94 -47.93 64.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -62.18 -43.74 98.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.49 -38.31 77.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -74.05 -35.82 64.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -40.08 71.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.03 -20.63 58.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.057 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.2 -28.91 60.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 91.9 m 58.42 67.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -117.16 159.05 42.8 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.568 0.699 . . . . 0.0 110.955 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 76.52 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.306 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.7 mt -150.95 152.99 32.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -169.69 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.676 2.251 . . . . 0.0 112.388 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.47 -45.21 5.9 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -59.74 -31.46 69.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.367 . . . . 0.0 110.945 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -60.65 -63.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.9 p -57.59 -40.08 73.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -66.63 -28.96 68.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -73.99 -52.01 14.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.1 pt -59.34 -40.67 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.9 t -72.4 -35.83 68.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -66.99 -43.29 83.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -69.92 -47.95 60.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -51.19 69.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -40.13 93.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.18 -41.74 99.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.044 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.8 t -93.31 6.47 48.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.056 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -109.44 -9.79 24.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -105.32 109.42 21.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 mt -78.84 -53.26 7.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.65 -16.5 62.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.807 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 63.79 47.7 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -104.19 -21.37 13.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.11 23.1 7.87 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.479 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -146.9 136.21 22.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.745 0.307 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.5 mt -111.19 128.19 67.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 54.2 p -91.88 166.68 12.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -49.6 -56.57 9.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.57 -40.92 76.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -56.52 -62.63 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -58.05 9.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 54.5 mt -50.84 -41.26 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -59.27 -47.7 84.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.9 -32.83 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -71.23 -40.24 71.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -83.9 -14.21 51.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -94.04 -85.82 1.63 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.2 mt -51.7 131.73 30.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.07 172.87 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.0 m -51.48 103.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.75 173.07 6.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.47 -44.89 27.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 20.2 m -59.73 -41.17 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.186 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.32 74.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -61.11 -49.27 77.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 95.3 m -55.48 -38.18 68.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -67.63 -60.65 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.798 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -52.82 -39.53 62.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -71.23 -62.11 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.15 -54.82 21.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.51 -26.53 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -41.86 69.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -53.8 -27.98 32.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.688 0.28 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.13 178.42 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -123.58 123.82 41.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.63 15.6 59.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.535 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 m -85.96 -170.78 3.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.835 0.35 . . . . 0.0 110.854 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.0 p -166.08 128.06 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.6 t -72.81 168.74 18.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.827 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -59.81 -56.45 21.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -55.74 -57.84 10.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -51.91 61.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.3 tpt -51.53 -41.97 61.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.8 mmt -67.36 -60.8 2.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.14 -33.54 27.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.0 mt -76.69 -60.62 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -51.67 -36.56 46.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 17.0 pt-20 -76.15 -35.43 59.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.59 -37.65 84.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -76.37 -50.18 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.52 -16.75 57.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -69.99 -59.91 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -76.83 -11.17 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -60.51 96.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 p -72.78 -60.9 2.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -74.19 -11.34 60.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.59 42.88 97.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.435 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.8 p-10 -87.75 -16.28 34.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.29 1.05 59.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -122.57 171.63 8.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.941 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.8 mt -135.76 134.39 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -103.91 -171.42 1.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -77.1 -36.32 55.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -62.94 -34.4 77.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -68.3 -56.25 9.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.33 -42.56 95.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.39 -50.07 74.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -62.26 -32.22 72.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -62.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -58.63 -36.12 73.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -70.02 -39.8 75.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.91 -26.97 64.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.118 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.19 -27.83 55.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 99.3 m 55.02 54.39 9.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 mp -84.85 160.56 55.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.534 0.683 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 74.21 1.33 Allowed 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.737 2.291 . . . . 0.0 112.246 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.408 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -161.59 159.02 23.04 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.655 0.741 . . . . 0.0 110.952 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 45' ' ' LEU . 53.6 Cg_endo -69.74 -166.95 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.08 -52.23 4.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -49.4 -32.49 11.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -52.06 67.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.2 t -65.42 -48.23 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -24.83 67.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -77.64 -54.48 6.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.8 pt -56.95 -38.46 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.9 t -73.85 -39.69 63.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -66.61 -47.05 73.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -68.03 -42.38 80.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.0 tp -60.84 -43.77 97.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 89.0 mmm -70.83 -36.72 73.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.57 -47.22 67.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.1 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.6 t -85.11 -1.13 56.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -111.57 17.24 25.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -116.01 112.19 21.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.338 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -85.95 -64.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -73.82 -7.79 53.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 53.92 60.74 3.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -114.52 -15.29 12.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.11 4.82 41.29 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -134.2 136.09 43.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.832 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.3 mt -107.98 117.2 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.24 171.93 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.827 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -52.12 -54.46 30.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.44 -42.43 78.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -55.16 -63.08 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -57.44 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.2 mt -50.67 -39.92 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -60.38 -50.13 74.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.83 -32.33 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -71.43 -41.19 69.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.08 -17.69 51.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.35 -58.03 1.32 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.5 mt -103.08 91.83 4.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -89.8 164.07 14.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.974 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 m 63.24 41.77 7.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.01 144.9 34.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.04 -41.93 99.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.8 -39.09 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.65 -56.74 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -57.99 -47.61 82.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.5 m -59.67 -39.51 84.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -62.85 -61.0 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.13 -41.27 62.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -67.09 -62.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.54 -56.11 15.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.171 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -27.28 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -80.1 -40.8 26.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -56.42 -38.08 71.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ttm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.758 0.313 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.01 -54.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -55.28 -41.9 72.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.74 163.99 24.71 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -160.21 131.37 5.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.32 125.43 67.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -55.66 173.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -60.15 -48.17 82.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -61.8 -58.15 9.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -55.12 -50.67 68.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.3 tpt -53.27 -44.44 68.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 22.5 mtp -67.82 -55.23 13.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -55.01 -35.51 64.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.8 mt -76.7 -59.73 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -53.11 -36.66 61.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 8.2 pt-20 -75.09 -35.83 61.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.16 -39.01 91.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -73.91 -51.38 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.22 -20.21 62.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.52 -59.79 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.8 m -68.64 -19.02 23.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -66.1 90.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -46.82 57.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.51 -11.37 59.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.36 62.86 4.3 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.8 p30 -113.03 -15.11 12.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.374 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.65 18.65 67.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.468 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -127.21 152.33 47.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.362 . . . . 0.0 110.901 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.4 mt -129.87 118.06 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.36 177.51 5.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -62.01 -25.4 67.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -66.86 -49.33 66.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.09 -43.71 91.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tp -59.77 -55.31 35.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -54.99 40.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.842 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -58.14 -32.97 68.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tp -66.42 -43.2 86.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -81.18 -18.85 44.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.17 -39.53 23.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.12 -17.8 63.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.105 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.76 -25.9 43.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 94.8 m 51.87 68.68 0.77 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mp -119.15 158.1 49.19 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 72.32 1.49 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.59 2.193 . . . . 0.0 112.34 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 mp -145.13 152.54 51.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.591 0.71 . . . . 0.0 110.943 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -169.76 0.35 Allowed 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.42 -47.44 4.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -57.37 -28.93 63.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.83 0.348 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -62.78 1.53 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.6 p -58.8 -38.09 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -69.63 -28.2 65.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -75.88 -45.76 33.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.2 pt -65.97 -38.77 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.1 t -72.83 -39.26 66.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.176 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.04 -48.89 69.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -65.88 -42.27 90.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.8 tp -59.63 -45.4 92.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -41.13 89.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.06 88.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.1 t -92.72 6.16 48.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -121.73 12.47 9.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.44 114.11 23.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.5 mp -85.68 -63.45 1.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -72.34 -9.29 58.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 52.65 59.68 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -109.79 -12.28 14.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.0 -0.5 41.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.6 136.07 40.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.747 0.308 . . . . 0.0 110.879 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.0 mt -100.99 136.3 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.4 t -99.8 172.9 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -54.46 -54.52 39.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -58.42 -39.85 80.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -55.6 -63.19 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -57.01 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.0 mt -50.3 -43.15 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -59.25 -44.49 92.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.0 -31.67 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -71.83 -42.26 67.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -85.93 -9.7 56.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -94.91 -68.51 1.03 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 63.5 mt -51.42 128.03 21.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.848 0.356 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -51.46 -47.62 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.88 110.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.034 0.445 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.25 147.63 44.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.14 -43.07 96.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.79 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.5 m -56.84 -34.49 43.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.27 -58.61 7.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.44 -47.65 85.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.2 m -56.15 -34.67 66.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -71.79 -59.43 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -52.03 -32.46 34.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -81.03 -56.78 3.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.94 -26.6 48.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.68 -20.21 8.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.185 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -91.99 18.31 8.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.2 mttt 62.68 16.0 8.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.4 ttm . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.811 0.339 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.83 172.16 18.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -99.99 -73.34 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.71 33.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -85.31 -172.72 4.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.927 0.394 . . . . 0.0 110.822 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.4 p -168.4 115.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 m -56.72 154.88 8.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.79 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -50.33 -54.85 18.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -56.54 -58.16 9.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -50.08 -53.93 23.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -62.67 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.26 -55.36 5.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -50.83 -43.46 59.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 5.0 mt -65.19 -48.19 74.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -50.51 -58.66 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -62.67 -35.07 78.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.31 -44.07 79.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 5.0 m-85 -76.8 -42.57 40.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.19 -11.78 59.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -71.59 -59.72 2.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.0 m -77.16 -13.08 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.119 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -58.95 97.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.5 p -72.93 -60.91 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -80.1 -11.57 59.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.83 53.62 43.73 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.0 p30 -94.32 -16.23 23.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.13 8.55 55.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -130.82 159.92 35.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.356 . . . . 0.0 110.916 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.8 mt -129.44 125.89 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.064 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.92 -171.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -70.44 -27.8 64.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -64.22 -54.12 38.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.31 -51.22 68.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 tp -53.91 -62.87 1.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -49.6 -49.53 46.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -60.02 -31.71 70.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -77.03 -35.09 57.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -79.39 -25.15 42.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.25 -48.02 10.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.9 -24.99 40.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.053 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.75 -23.6 43.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.3 t 56.65 83.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -118.87 159.21 45.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.67 19.14 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.64 2.227 . . . . 0.0 112.391 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 mt -72.33 152.71 92.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.625 0.726 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.415 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.6 Cg_endo -69.69 -165.26 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.74 -52.67 3.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -51.91 -26.98 11.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 110.906 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 2.1 tpt180 -62.85 -63.48 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.0 p -58.82 -37.71 68.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.1 ttp85 -69.55 -28.64 66.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -75.82 -45.66 34.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.3 pt -66.26 -38.24 81.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.6 t -73.7 -38.86 64.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.201 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -65.95 -46.92 76.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -68.72 -42.74 77.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.5 tp -58.48 -46.04 87.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 85.9 mmm -69.62 -39.29 77.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.07 91.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.6 t -96.64 6.31 48.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.16 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -120.57 22.71 8.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.527 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.46 114.71 18.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mp -83.12 -64.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -72.98 -11.47 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 57.7 60.24 2.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -108.91 -10.93 15.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.14 -13.2 48.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.527 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 -120.89 147.6 45.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.793 0.33 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.7 mt -113.52 121.89 66.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.85 166.2 21.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -51.07 -55.43 17.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.55 -42.75 83.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -54.96 -62.71 1.48 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.43 -60.25 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.7 mt -49.05 -41.21 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -59.71 -45.76 91.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -66.04 -31.46 53.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.08 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -71.73 -38.66 70.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -89.85 -10.65 44.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.806 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.29 -84.43 1.57 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.452 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 53.1 mt -51.6 140.01 19.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 0.0 110.932 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -51.72 169.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.5 m -51.68 102.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.21 167.59 9.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.09 -42.76 36.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.4 m -57.92 -41.08 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.97 -62.49 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -54.58 -44.39 72.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 83.3 m -60.14 -41.71 93.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -61.73 -61.19 2.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -58.23 -29.59 65.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.91 -51.03 24.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.05 -22.24 63.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.19 -20.79 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -91.85 18.76 7.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm 64.03 14.46 8.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.833 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.18 -38.27 6.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.038 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 72.6 mtt-85 -52.8 170.32 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.43 35.18 3.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 p -53.74 173.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.914 0.388 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.4 t -145.44 115.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -51.73 160.31 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -54.84 -56.57 18.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -59.0 -47.71 84.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -56.54 -54.67 43.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -62.31 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -52.21 8.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.59 -52.24 49.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 3.1 mt -61.25 -44.13 97.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -50.64 -60.48 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -61.57 -34.55 75.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.02 -44.09 82.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 8.0 m-85 -76.22 -43.12 43.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.89 -12.47 60.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.046 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -59.34 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.902 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.3 m -79.17 -6.84 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.43 98.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.7 p -73.01 -60.7 2.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.9 p30 -90.58 -11.3 40.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.34 35.67 76.88 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -76.3 -16.02 59.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.89 -1.66 61.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -118.34 168.87 10.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 110.954 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.5 mt -136.94 121.05 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.8 m -97.96 -171.89 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -67.83 -44.63 76.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -50.77 -51.45 50.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.52 -54.98 40.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.421 ' HG ' ' CZ ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -55.02 -61.56 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.96 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -50.47 -34.53 25.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -73.7 -37.61 65.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -69.31 -39.66 78.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.421 ' CZ ' ' HG ' ' A' ' 34' ' ' LEU . 13.9 m-30 -76.83 -35.8 57.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.79 -37.13 62.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.63 3.06 38.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.65 -18.77 55.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 70.3 m 60.33 23.63 13.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.52 159.7 28.96 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.561 0.696 . . . . 0.0 110.901 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 75.26 1.26 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.299 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -135.14 136.08 24.04 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.668 0.747 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.0 Cg_endo -69.76 -165.99 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.726 2.284 . . . . 0.0 112.281 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.51 -37.92 5.73 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.572 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -64.51 -35.71 81.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.958 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.422 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 6.7 tpt85 -68.2 -58.06 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.3 p -56.21 -40.34 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -72.22 -30.45 64.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.04 -42.3 48.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.2 pt -69.82 -36.4 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.111 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.3 t -75.36 -37.24 60.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -69.22 -44.85 71.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -70.49 -45.64 65.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.2 tp -60.69 -43.14 98.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 81.6 mmm -72.07 -35.27 69.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.7 -38.02 73.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.2 t -98.21 6.41 47.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.06 10.77 31.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.513 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -123.83 123.77 41.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.58 -60.62 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.7 p30 -82.09 -9.13 59.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 63.09 45.87 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -87.2 -17.88 31.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.1 7.43 38.06 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.449 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -134.91 136.0 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.7 mt -108.25 120.76 60.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 m -84.0 166.56 17.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -50.76 -55.27 17.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -57.6 -39.98 78.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.98 -62.66 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.87 -57.42 12.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.7 mt -50.54 -40.18 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -61.21 -52.02 66.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.98 -31.37 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -74.05 -39.1 63.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -83.42 -12.29 56.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -101.4 -56.24 0.88 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 mt -103.42 87.75 2.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.858 0.361 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -94.47 24.48 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.1 m -121.83 24.15 9.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.72 144.51 40.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.132 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.45 -31.77 48.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.8 m -59.8 -34.05 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.57 -62.54 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.083 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.29 -44.6 79.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.6 m -61.61 -31.55 71.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.099 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -71.92 -62.41 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -32.23 62.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -75.36 -55.49 5.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.76 -22.55 65.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -94.19 -25.05 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -63.16 -46.5 86.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.822 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -109.39 6.39 24.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.886 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 mtt . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.771 0.319 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.89 57.42 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.035 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -72.53 -176.73 2.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.12 29.51 3.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -61.71 -170.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -163.61 124.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 73.4 m -64.19 166.74 7.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -59.55 -56.01 27.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -56.92 -57.5 12.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.49 -44.98 69.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.9 tpt -56.7 -46.04 81.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.0 mtp -68.33 -54.82 14.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.39 -35.19 62.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.0 mt -75.75 -59.11 2.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -53.35 -36.36 61.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -75.89 -31.71 59.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.22 -36.87 84.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.071 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -76.27 -50.4 14.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.12 -21.54 61.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -60.21 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 m -67.16 -15.98 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -69.4 86.09 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.52 -22.48 61.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -107.58 -11.12 15.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.69 59.83 7.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.467 ' ND2' HH21 ' A' ' 68' ' ' ARG . 13.0 p30 -112.53 2.75 16.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.942 0.401 . . . . 0.0 110.921 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.39 17.69 62.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -127.08 158.53 36.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.376 . . . . 0.0 110.852 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.2 mt -136.94 126.19 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.167 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 p -101.24 -171.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -79.39 -24.32 42.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -64.04 -61.21 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -62.16 -29.85 70.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.28 -62.23 1.83 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.97 -44.62 87.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.15 -42.23 98.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.75 -36.54 84.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -79.46 -27.56 41.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.71 -38.31 33.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.2 -26.04 36.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.93 -28.8 58.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.6 m 50.93 71.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -115.07 159.77 36.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.597 0.713 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.72 77.96 1.02 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.637 2.224 . . . . 0.0 112.404 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.92 158.36 31.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.584 0.707 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -169.54 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.314 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -88.56 -45.96 4.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -51.98 -28.15 15.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.874 0.369 . . . . 0.0 110.904 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -61.56 -63.12 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.3 p -59.66 -36.0 62.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -70.28 -28.15 64.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -76.69 -44.2 34.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.4 pt -67.43 -37.71 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.4 t -73.38 -40.41 64.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.201 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.49 -44.81 77.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -68.64 -42.37 78.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.78 -44.4 96.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -43.46 81.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.94 -38.34 90.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.6 t -94.8 5.96 50.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -120.81 17.1 9.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -133.62 98.57 4.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.794 0.33 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.53 -52.73 6.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.82 -18.94 62.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 63.58 38.88 9.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -81.24 -13.77 58.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.09 -9.96 47.12 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.467 HH21 ' ND2' ' A' ' 26' ' ' ASN . 2.1 mmm-85 -133.3 164.33 27.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.755 0.312 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.5 mt -114.72 131.26 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.4 p -95.43 164.74 12.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -49.04 -55.02 13.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -57.54 -40.38 78.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -57.01 -63.46 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.19 -56.91 13.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.933 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 60.7 mt -51.63 -41.66 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -58.88 -43.71 90.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.44 -31.8 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -72.82 -34.35 66.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.34 -19.15 25.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.57 -67.86 1.31 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.5 mt -51.64 125.0 13.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.89 0.376 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.0 ptpm? -51.19 -47.29 62.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.3 t -178.31 109.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.04 146.27 46.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.15 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -57.27 -46.84 82.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.1 m -53.45 -38.45 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.01 87.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.49 -49.21 67.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.828 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 93.7 m -57.44 -36.57 71.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -70.48 -61.15 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -52.14 -33.88 42.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -78.12 -61.45 2.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.5 -52.35 47.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.038 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -25.25 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.166 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -94.13 20.06 8.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt 64.71 14.38 9.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ptt? . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.791 0.329 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.22 115.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.05 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -61.1 171.52 1.27 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.2 72.94 0.47 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.521 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -53.22 172.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.381 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 t -145.25 117.08 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.188 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.4 m -51.65 154.06 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -51.27 -51.25 55.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.64 -54.23 42.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.24 -54.85 25.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -63.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 ttm -45.94 -57.04 4.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.49 -44.01 62.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 59.9 mt -64.88 -43.4 93.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -54.33 -57.1 12.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.96 -37.91 84.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.59 -45.16 77.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 6.1 m-85 -70.66 -48.25 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.59 -22.56 65.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -59.69 5.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.4 m -76.65 -22.04 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -84.87 73.09 10.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -21.99 65.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.04 -11.05 59.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.26 51.63 58.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.529 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.7 p-10 -108.88 -16.15 14.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.938 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.45 17.94 76.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -123.13 146.98 47.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.4 mt -131.09 111.61 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.17 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.6 m -86.67 -175.03 5.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -72.58 -24.61 61.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -69.43 -46.41 66.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.74 -50.65 72.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.27 -48.98 78.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -59.61 -54.41 46.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -61.69 -29.92 70.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 tp -68.27 -43.44 77.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -82.15 -19.14 40.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -79.46 -48.11 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.49 -13.05 61.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.81 -24.32 35.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.0 m 51.88 69.38 0.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.2 mt -119.44 158.51 48.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.676 0.751 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 75.49 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.692 2.261 . . . . 0.0 112.304 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt -153.71 153.74 29.29 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.628 0.728 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -169.75 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.694 2.263 . . . . 0.0 112.346 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.77 -45.64 5.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -57.8 -32.3 67.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.905 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -63.0 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.07 -36.33 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -29.03 67.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -74.82 -48.13 26.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.9 pt -63.49 -40.26 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.7 t -71.58 -37.87 70.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -69.62 -44.86 69.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -65.62 -42.78 91.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 tt -63.72 -54.78 30.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -34.35 72.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.989 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.49 -43.66 59.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.049 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.5 t -86.2 6.71 28.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -111.92 -18.53 7.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.83 106.43 18.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 0.0 110.82 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.13 -66.26 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.88 -16.13 61.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 63.87 59.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -93.73 -11.7 30.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.11 11.21 30.33 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.426 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -155.95 145.82 21.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.752 0.31 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.3 mt -104.42 131.96 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.5 p -95.28 164.83 12.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -49.0 -57.33 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -52.92 -45.91 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -55.49 -62.84 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.01 -60.62 3.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.8 mt -49.28 -43.58 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -57.57 -42.19 82.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.77 -30.58 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -74.95 -34.28 62.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -91.5 -13.17 32.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -106.77 -61.87 0.59 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.448 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.96 75.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.54 -9.24 29.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 m -59.87 -19.77 53.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.992 0.425 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.99 155.24 38.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.207 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.42 -32.96 48.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.4 m -50.98 -32.59 11.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.99 -58.28 9.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -60.18 -44.74 94.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 95.7 m -56.76 -37.32 70.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -70.15 -56.9 5.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -50.61 -37.58 40.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -78.56 -55.61 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.66 -26.26 32.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.057 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.7 -21.86 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -93.71 20.51 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt 63.22 16.07 9.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.734 0.302 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.8 100.31 9.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -82.28 97.82 8.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.42 -26.18 16.45 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.434 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.2 p -55.44 175.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.0 t -145.42 129.82 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t -66.55 169.7 7.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.34 -56.82 13.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.63 -47.02 88.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -60.14 -53.38 58.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.0 tpt -52.15 -62.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.8 mtt -46.37 -54.09 9.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -50.39 -44.75 55.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 5.8 mt -64.02 -46.6 83.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -52.16 -57.53 9.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -60.77 -36.98 80.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.23 -43.32 82.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 5.7 m-85 -75.64 -42.79 50.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.79 -20.19 66.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.064 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -65.61 -60.15 3.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 m -72.5 -19.34 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -80.17 82.29 6.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.85 -21.01 61.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -103.42 -11.2 18.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.07 63.09 5.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -104.98 4.61 31.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.943 0.401 . . . . 0.0 110.946 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.43 13.06 57.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.527 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -132.53 159.22 40.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.933 0.397 . . . . 0.0 110.891 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.2 mt -136.97 126.89 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -104.22 -171.56 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.46 -22.67 37.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -63.62 -60.91 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.39 -45.59 88.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 mt -57.17 -57.47 12.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.14 -46.65 62.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.4 -35.61 81.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.55 -53.14 46.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -63.42 -35.35 80.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -25.24 53.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.08 4.9 31.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.064 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.04 -5.45 26.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.8 m 67.11 46.61 1.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.3 124.11 21.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 77.23 1.1 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.3 mt -87.55 158.88 50.84 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -7.25 20.57 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.251 . . . . 0.0 112.4 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.93 -59.4 1.02 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -58.32 -32.36 68.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.916 0.388 . . . . 0.0 110.906 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -62.35 1.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.843 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.2 p -57.59 -37.41 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -27.82 63.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.31 -43.91 39.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.4 pt -66.34 -38.7 82.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 t -73.02 -41.59 64.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -64.57 -46.86 80.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -69.04 -39.54 79.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.1 tp -59.33 -44.03 92.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 85.5 mmm -77.51 -30.45 52.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.77 -30.61 64.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.0 t -103.43 -8.19 20.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -99.37 19.33 54.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -137.35 105.66 5.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.826 0.346 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.4 mp -65.36 -58.25 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -74.04 -16.66 61.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 63.63 59.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -100.79 -17.75 16.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.91 17.59 14.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.488 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.6 mtt85 -147.85 146.93 29.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.1 mt -117.89 130.48 72.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.1 t -92.87 165.02 13.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -49.25 -54.48 16.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.89 -41.32 86.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -56.53 -62.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -60.02 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 80.5 mt -49.18 -45.35 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -55.03 -49.41 71.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.1 -34.25 56.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -69.76 -39.22 76.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -82.08 -17.68 45.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.5 -66.84 0.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mt -88.81 83.91 6.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.936 0.398 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -92.54 43.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.7 m -151.54 30.28 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.03 144.81 40.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -35.5 66.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.88 -32.95 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.67 -45.47 86.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -68.13 -45.38 73.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 32.9 m -60.04 -39.73 86.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -69.8 -60.51 2.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -35.33 44.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -77.35 -61.29 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.12 -54.2 22.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.054 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -24.61 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -94.14 21.03 7.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt 64.99 14.21 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 ptt? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.839 0.352 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.65 97.73 8.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.034 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.6 ttm-85 -114.82 137.85 51.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.31 38.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -101.22 -172.43 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.863 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -169.55 126.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 76.7 p -65.64 168.87 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -63.42 -56.31 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -57.41 -50.22 73.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.76 -50.88 72.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.1 tpt -51.17 -48.33 61.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.0 mtt -60.47 -59.4 5.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.803 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -50.63 -31.59 16.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.925 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 mt -76.89 -61.55 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -51.74 -36.5 47.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 16.2 pt-20 -75.73 -35.93 60.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.91 -33.68 76.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -78.49 -51.63 9.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.2 -19.11 62.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -63.8 -59.72 4.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 m -71.07 -22.86 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -59.85 98.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.794 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 p -72.1 -51.19 22.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -80.46 -11.33 59.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.44 58.74 11.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -108.69 -15.33 14.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.43 18.62 54.8 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -126.82 148.52 49.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.876 0.37 . . . . 0.0 110.887 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.7 mt -132.59 118.37 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.2 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.7 t -99.05 -172.63 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -65.36 -30.5 71.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -64.39 -53.52 47.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.27 -48.68 80.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -58.22 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -52.31 -45.94 65.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -65.41 -42.9 92.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.78 -37.81 80.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -77.15 -39.38 49.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -42.24 88.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.05 -24.16 66.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.78 -31.85 62.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.081 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 t 53.77 76.9 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -119.95 158.89 48.95 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.585 0.707 . . . . 0.0 110.954 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 76.35 1.15 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.707 2.271 . . . . 0.0 112.357 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.421 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 3.7 pp -155.26 156.65 31.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.692 0.758 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 45' ' ' LEU . 53.0 Cg_endo -69.82 -166.92 0.2 Allowed 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.683 2.255 . . . . 0.0 112.313 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.98 -51.01 3.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.516 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -50.1 -28.01 6.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.89 0.376 . . . . 0.0 110.968 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -63.48 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 p -61.16 -25.64 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -76.64 -33.56 58.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -75.64 -34.86 60.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.439 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 18.7 pt -77.14 -36.11 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.208 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.5 t -76.31 -36.46 58.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -74.29 -42.37 59.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -70.44 -40.71 73.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.6 tp -67.44 -48.74 66.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 81.9 mmm -65.15 -37.41 87.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.86 -46.87 76.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.2 t -88.01 6.3 36.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -103.76 -18.27 14.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -111.1 112.52 24.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.22 -42.24 55.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.26 -18.57 52.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 63.58 43.7 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -92.7 -20.4 20.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.93 21.68 8.86 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -149.39 136.1 19.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.326 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.4 mt -108.88 127.94 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.182 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.6 p -92.21 166.33 12.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -49.88 -55.69 13.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -58.44 -39.08 78.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -57.0 -62.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.21 -58.07 8.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.809 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 80.9 mt -50.32 -45.94 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -54.63 -48.17 72.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.78 -32.63 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -71.59 -40.13 70.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -83.13 -15.45 50.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.65 -70.88 1.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.3 mt -51.92 153.77 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -80.06 62.11 4.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 p 46.16 70.62 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.1 m -68.92 160.31 31.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.197 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -53.87 -48.25 70.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.4 m -55.92 -38.98 54.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.88 -51.53 69.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.069 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -60.53 -47.36 86.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.0 m -59.45 -34.97 73.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -68.58 -60.89 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -52.42 -39.72 61.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -71.38 -63.06 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.27 -55.16 16.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.078 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.31 -26.4 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -83.77 -31.27 26.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -56.49 -24.56 46.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.743 0.306 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.45 85.34 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -123.17 151.14 42.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.65 -19.48 77.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.0 m -60.34 -175.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.389 . . . . 0.0 110.824 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 p -157.59 118.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -55.29 164.63 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -59.29 -56.44 22.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.05 -44.27 94.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -60.5 -50.88 71.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -43.49 77.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.1 mmt -67.39 -55.0 15.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -56.81 -34.12 67.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.1 mt -76.3 -59.07 2.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -51.93 -36.67 50.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 13.9 pt-20 -76.0 -34.34 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.55 -38.28 89.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -75.82 -50.07 16.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.37 -17.2 58.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -68.57 -60.03 2.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.5 m -75.31 -12.86 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.22 97.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.2 p -72.81 -60.71 2.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -74.41 -11.27 60.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.88 36.8 93.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.386 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -82.35 -16.17 50.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.16 5.21 64.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.448 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -122.18 169.41 10.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 110.936 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -135.5 126.79 45.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -98.68 -171.9 2.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -75.16 -28.3 60.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -66.36 -48.5 70.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.24 -53.47 57.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.7 mt -57.08 -51.53 68.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.13 -52.66 64.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.96 -29.55 69.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 tp -70.53 -62.39 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -57.87 -29.61 65.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -33.49 40.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.7 -21.51 64.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.11 -24.18 38.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.3 m 56.81 24.9 9.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -71.98 154.09 92.63 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.644 0.735 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 82.01 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.1 mt -154.03 157.23 32.45 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.577 0.703 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.405 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 52.9 Cg_endo -69.86 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.98 -39.36 3.83 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -57.89 -32.67 67.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.949 0.404 . . . . 0.0 110.983 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.405 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 7.8 tpt180 -65.26 -63.3 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 p -53.07 -38.69 30.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -29.46 65.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.64 -43.5 47.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.6 pt -67.86 -38.33 79.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.7 t -73.64 -40.26 63.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -66.44 -48.44 69.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -66.25 -43.17 87.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 68.3 tp -58.7 -45.62 89.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -40.67 87.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.65 -44.13 87.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.5 t -89.58 6.4 41.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -116.96 18.75 12.35 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.6 130.12 51.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -86.48 -56.96 3.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -102.02 -0.95 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 63.71 33.78 12.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -18.08 62.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.23 -3.22 40.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.22 144.24 40.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.7 mt -107.21 119.51 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.27 171.64 13.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.69 -54.78 33.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -55.92 -41.71 74.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -55.43 -63.32 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.22 -56.36 21.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 47.2 mt -51.4 -38.73 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.19 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -61.99 -46.84 87.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.0 -31.52 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -72.63 -40.0 66.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.58 -16.39 45.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -90.91 -84.33 1.41 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.572 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.1 mt -52.73 134.47 36.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -59.89 -173.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.2 m -51.62 103.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.89 169.95 8.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.76 -43.06 31.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.51 -37.25 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.134 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.1 -49.92 74.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -65.36 -46.08 81.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 93.1 m -59.25 -37.12 76.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -70.43 -60.61 2.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -51.88 -35.49 45.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -76.6 -62.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.56 -52.0 42.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -57.04 -25.42 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -93.33 19.88 7.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt 65.27 14.46 9.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.83 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.79 151.58 51.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 -66.86 172.87 3.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.68 -26.71 1.89 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 67.16 128.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.885 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.1 p -178.67 119.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.4 m -58.7 159.61 6.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -50.38 -57.23 8.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -55.25 -58.61 7.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -49.17 -50.59 37.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -63.03 1.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.58 -52.64 6.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -52.12 -56.98 11.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mp -56.66 -42.74 79.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -62.66 1.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.8 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.39 -32.52 68.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.62 91.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.78 -44.05 51.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.02 -16.77 64.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -65.55 -59.33 4.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.0 m -75.18 -23.51 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -76.19 88.29 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -46.87 77.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -75.4 -11.17 59.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.12 57.96 16.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -102.73 -14.85 16.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.363 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.51 18.4 58.73 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -127.22 150.1 49.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.357 . . . . 0.0 110.977 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.2 mt -136.1 119.8 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.1 t -97.09 -171.39 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -71.76 -28.82 63.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -69.39 -48.72 60.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.45 -56.72 14.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.7 mt -60.71 -52.69 64.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -50.89 -45.08 60.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -69.47 -37.22 77.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.6 -53.27 50.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -62.33 -44.36 96.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.965 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -28.82 68.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.2 -26.21 65.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.01 -24.73 40.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 95.8 m 51.58 55.04 9.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.02 159.32 30.17 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.689 0.757 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 76.27 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 mt -148.07 155.34 43.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.662 0.744 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -168.1 0.26 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -88.84 -48.84 3.76 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -55.62 -30.0 60.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.957 0.408 . . . . 0.0 110.95 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -63.48 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.2 p -58.53 -37.21 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -28.62 67.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.52 -47.66 25.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.7 pt -63.67 -38.51 82.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.0 t -73.97 -38.19 64.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -68.33 -47.3 67.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -67.71 -43.84 79.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.7 tp -59.91 -45.15 93.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 88.0 mmm -68.46 -38.07 80.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.89 -44.55 76.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.5 t -90.24 6.42 42.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -109.12 -19.98 8.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.87 107.27 19.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.805 0.336 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 mt -76.29 -59.29 2.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.69 -18.37 62.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 63.62 53.37 2.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -100.29 -11.81 20.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.86 4.03 42.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.466 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.62 144.14 31.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.757 0.313 . . . . 0.0 110.849 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.3 mt -104.52 133.76 47.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 p -96.27 166.71 11.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -50.91 -53.38 33.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -58.31 -41.42 84.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -57.24 -61.89 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -57.4 11.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.0 mt -52.26 -40.49 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -60.66 -45.03 95.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.9 -32.98 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -70.65 -39.17 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -86.08 -14.97 42.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.46 -84.14 1.45 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.455 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.3 mt -53.95 134.1 43.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.834 0.349 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -55.85 178.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.3 m -51.64 103.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.88 171.18 7.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.24 -45.77 45.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.0 m -59.48 -39.5 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.97 -56.05 17.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -57.26 -51.61 68.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.2 m -56.18 -41.58 75.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -60.29 -58.6 7.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.09 -53.79 30.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -61.33 2.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.53 -57.5 6.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.052 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -20.4 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -89.07 14.97 9.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm 63.16 16.16 9.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.848 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.1 mtp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.42 166.66 10.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.146 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 55.71 27.45 10.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.13 132.51 50.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -62.54 -170.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.911 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.7 p -168.36 120.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.074 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.7 t -58.11 171.41 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -67.15 -56.44 9.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -55.16 -45.0 75.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -68.08 -43.53 78.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.9 tpt -55.53 -42.25 74.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.3 -50.82 17.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.61 -37.11 67.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.3 mt -76.54 -60.64 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -51.26 -37.61 48.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 15.9 pt-20 -75.33 -35.17 61.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.03 87.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -74.8 -51.75 13.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.07 -22.5 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -55.57 27.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.3 -10.34 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -65.09 89.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.0 p -73.65 -60.41 2.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -68.84 -11.67 60.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.09 56.49 17.96 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.435 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -107.38 -16.2 14.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.88 3.26 73.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -120.34 168.75 10.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.962 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.3 mt -135.39 135.48 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 m -104.4 -171.23 1.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -75.47 -33.1 60.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -65.42 -51.1 62.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -51.5 -56.22 14.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.0 mt -57.95 -50.16 74.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -51.99 -36.25 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -76.76 -38.72 53.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.78 -36.76 84.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -80.95 -43.62 19.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -37.44 85.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.05 3.45 48.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.06 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.69 -13.81 60.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.8 m 64.2 55.32 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.821 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.5 tp -121.45 137.25 26.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 77.21 1.07 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.301 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mp -140.63 156.51 69.13 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.598 0.713 . . . . 0.0 110.949 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.47 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.237 . . . . 0.0 112.339 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.75 -43.43 6.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.447 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -60.61 -29.37 69.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.858 0.361 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -62.62 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.88 -37.89 73.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -69.79 -28.12 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -76.26 -44.97 34.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.9 pt -66.74 -37.85 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.6 t -74.05 -38.42 63.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -67.49 -45.45 75.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -70.37 -41.95 72.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.4 tp -61.7 -41.23 97.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 87.4 mmm -75.24 -34.52 61.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.821 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.51 -43.13 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.0 t -90.23 -7.1 54.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -102.38 15.71 55.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.454 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -130.91 107.07 8.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mt -76.47 -53.04 8.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -69.95 -18.31 63.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 62.52 51.91 3.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.96 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -109.44 -18.76 13.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.85 23.22 7.92 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.52 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -144.35 136.12 25.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.798 0.332 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.3 mt -110.33 123.99 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -88.03 163.27 16.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.08 -51.47 42.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.62 -40.85 88.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -55.43 -63.15 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.53 -56.81 15.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.8 mt -52.0 -38.64 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -61.99 -41.83 98.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.7 mp -69.58 -32.58 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -71.09 -40.14 71.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.39 -21.17 30.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -100.2 -77.28 1.28 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 mt -77.46 77.95 3.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.915 0.388 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -86.19 179.2 6.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.19 29.62 15.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.51 144.91 30.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.127 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.0 -36.95 75.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.5 m -68.74 -42.31 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.72 -51.01 70.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -62.59 -51.04 68.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.8 m -59.64 -29.93 68.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -71.9 -61.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 ptt85 -60.01 -24.56 64.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -83.24 -54.59 4.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.57 -54.21 39.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -23.69 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -68.74 -46.84 67.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -53.68 -40.51 66.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.814 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.784 0.325 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.32 124.77 50.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.57 48.59 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.55 34.35 55.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.431 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.4 m -83.93 174.78 10.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.87 0.367 . . . . 0.0 110.909 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.0 t -144.11 128.65 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 t -69.71 167.63 16.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.68 -56.38 22.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -60.46 -55.88 28.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -51.77 -53.41 40.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.4 tpt -51.95 -63.27 1.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.815 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.46 -54.26 7.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.84 -45.86 59.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 6.6 mt -61.91 -47.99 82.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.13 -60.81 2.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -57.62 -36.36 71.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.05 -43.61 86.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 5.7 m-85 -75.45 -49.19 19.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.18 -25.23 45.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -61.35 -59.45 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.0 m -77.01 -18.63 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.16 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -71.43 82.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -72.64 -52.43 15.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.06 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -69.7 -11.42 60.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.68 56.05 26.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.514 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -111.07 -14.14 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.37 18.39 71.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -123.22 148.25 46.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.903 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.3 mt -131.13 120.22 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.07 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 m -101.5 -171.61 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -71.9 -24.2 61.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -68.5 -49.27 60.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.19 -53.74 53.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -51.54 69.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -53.52 57.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -57.64 -30.17 65.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 tp -71.59 -62.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -62.09 -21.13 64.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.819 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.47 -42.04 15.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.8 -25.36 60.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.75 -23.31 41.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 98.1 m 58.75 82.36 0.14 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mp -111.14 159.86 31.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.657 0.741 . . . . 0.0 110.92 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -8.25 23.12 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.337 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mp -73.12 154.34 90.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.648 0.737 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -167.82 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.15 -47.38 6.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -58.71 -31.05 67.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.929 0.395 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -62.42 1.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.0 p -57.37 -39.15 66.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.77 -28.61 66.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.22 -47.66 27.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.2 pt -63.72 -39.59 85.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.9 t -72.67 -37.84 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -67.65 -49.55 62.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -66.21 -42.58 88.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.5 tp -60.06 -45.5 92.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 85.5 mmm -66.02 -41.53 90.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.89 -44.88 88.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.4 t -87.01 5.33 37.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.185 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -111.38 -9.01 22.48 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.92 122.3 47.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.5 mt -87.02 -38.75 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -90.68 -10.94 41.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 62.86 20.22 12.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.008 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -68.37 -22.71 64.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.96 17.36 14.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.8 mtp85 -143.92 136.32 26.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.359 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.2 mt -108.28 131.86 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.2 t -94.58 166.17 12.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.817 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -49.12 -56.5 8.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.806 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -56.7 -42.06 78.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -55.78 -63.89 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.66 -59.12 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 80.1 mt -48.61 -48.46 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' HA ' ' CE1' ' A' ' 79' ' ' HIS . 11.5 mmtp -57.43 -38.73 74.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.94 -22.31 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -79.36 -43.67 23.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.408 ' CE1' ' HA ' ' A' ' 76' ' ' LYS . 21.9 p80 -107.56 16.04 24.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -109.97 -15.21 12.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 mp -137.39 156.35 48.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.881 0.372 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -51.71 160.61 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.2 p -52.02 103.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.53 144.73 27.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -51.9 -48.53 64.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.2 m -52.83 -43.86 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.81 -56.2 24.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.019 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -54.98 -44.97 74.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.7 m -58.95 -42.07 88.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -62.23 -57.84 9.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.8 -51.45 50.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.898 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.93 -60.93 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -48.57 -57.41 6.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -24.32 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -93.67 23.35 4.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt 59.49 18.51 6.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.866 179.865 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ptt? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.75 0.309 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.72 -175.38 3.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.112 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -170.36 127.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.89 -14.55 80.04 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 p -53.7 173.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.4 t -145.34 115.86 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.129 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.1 t -52.07 165.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -59.95 -56.41 22.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.97 -43.01 91.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.82 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -62.71 -51.28 67.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -43.12 69.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.4 mtp -68.46 -60.83 2.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.78 -31.52 27.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.0 mt -79.21 -60.92 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -51.65 -37.4 50.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 1.6 pp20? -75.43 -37.66 60.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.73 -36.51 76.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.166 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -75.93 -51.92 11.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.812 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.14 -21.17 64.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -59.78 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.2 m -70.27 -22.13 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -64.77 93.14 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.2 p -71.04 -39.63 72.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.255 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -87.98 -11.16 48.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.91 59.75 9.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.553 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -108.1 -15.18 14.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.19 18.54 62.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -126.64 154.78 43.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.849 0.357 . . . . 0.0 110.917 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.8 mt -136.87 126.63 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 p -104.0 -171.62 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -72.26 -27.25 62.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -68.79 -52.22 32.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -51.88 -56.8 11.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.0 mt -59.63 -48.44 81.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -52.7 -51.18 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.75 -30.52 71.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.848 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 tp -68.34 -61.52 1.81 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -59.47 -35.85 74.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.005 0.431 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -34.75 69.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.71 65.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.178 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.48 -21.24 51.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.1 m 53.09 84.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -118.69 159.28 44.82 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.62 0.724 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -5.48 16.27 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.729 2.286 . . . . 0.0 112.334 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 pp -71.38 155.68 92.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.609 0.718 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -170.6 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.65 2.233 . . . . 0.0 112.327 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.72 -49.63 5.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.459 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -52.07 -29.75 22.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.33 . . . . 0.0 110.892 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -63.63 1.23 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -58.28 -36.01 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.38 -29.26 66.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -75.52 -47.2 27.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.0 pt -64.61 -38.91 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.3 t -72.72 -37.49 67.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.068 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.92 -41.42 87.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -70.62 -45.16 65.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -46.91 87.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 84.5 mmm -68.61 -38.83 80.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.27 87.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.7 t -90.13 6.25 43.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -106.26 -20.51 9.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.44 108.65 20.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.373 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.91 -40.95 62.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.51 -6.94 23.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.89 51.5 2.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.2 15.62 28.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.79 19.36 65.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.447 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.85 138.33 21.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.0 mt -114.24 129.87 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.4 t -93.94 168.48 10.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.807 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.1 -55.61 14.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -56.46 -43.12 79.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -56.21 -63.06 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -59.16 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 57.0 mt -50.21 -42.87 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -58.22 -42.62 86.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.5 mp -65.71 -33.95 67.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.78 -39.14 76.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -86.24 -15.41 40.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.797 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.65 -84.82 1.59 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.456 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.4 mt -51.03 155.09 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -60.38 -169.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.7 m -79.55 57.07 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.71 159.21 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.84 -32.16 73.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.25 -36.44 77.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.16 -53.87 38.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -46.41 88.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 95.6 m -59.54 -38.79 81.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -64.01 -60.13 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -52.02 -41.06 61.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -68.55 -62.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.57 -55.43 16.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.25 -26.46 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -81.83 -37.14 27.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -67.31 -31.56 71.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ptt? . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.772 0.32 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.11 106.26 6.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -53.34 107.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.9 35.24 4.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -56.4 177.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.3 t -144.61 129.73 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.7 m -72.08 166.05 23.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.48 -56.57 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -59.16 -57.55 12.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -50.87 -54.15 26.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.5 tpt -50.4 -62.39 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.942 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -43.12 -53.52 4.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -56.14 14.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 1.1 mp -56.39 -42.84 78.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -54.25 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.929 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -56.63 -35.23 68.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.22 -43.8 87.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.408 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 6.8 m-85 -72.31 -43.33 64.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.35 -16.95 64.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.99 -59.51 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.8 m -74.65 -25.43 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.44 93.06 0.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.3 t -72.8 -34.79 67.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.177 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -94.29 -11.58 29.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.34 62.45 6.0 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -112.67 7.16 18.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.78 18.8 66.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.449 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -124.64 150.24 46.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.2 mt -136.68 118.88 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.144 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.7 p -96.48 -171.63 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -72.7 -26.33 61.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -68.75 -51.63 39.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.23 -56.56 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.3 mt -59.98 -49.04 79.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.04 -45.86 61.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.15 -29.15 62.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -68.38 -43.28 77.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -81.02 -31.54 34.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -54.26 8.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.6 -22.47 56.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.055 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.39 -22.31 41.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.0 m 56.77 85.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -120.88 158.94 50.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.695 0.759 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.39 16.08 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.725 2.284 . . . . 0.0 112.365 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.03 151.6 92.75 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.661 0.743 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -168.15 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.712 2.274 . . . . 0.0 112.315 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.5 -49.58 5.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -56.49 -29.92 62.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.925 0.393 . . . . 0.0 110.981 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -62.64 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.8 p -58.25 -37.38 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.5 -28.46 66.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.0 -45.42 34.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 pt -66.19 -38.08 81.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.2 t -73.48 -37.52 65.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -67.03 -47.89 70.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -68.61 -42.49 78.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.5 tp -59.41 -45.34 91.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 83.0 mmm -71.02 -35.86 72.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.14 -37.37 78.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.6 t -98.87 6.34 46.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.195 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.64 -26.37 7.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -102.15 112.02 24.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.63 -43.99 45.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -85.64 -16.97 37.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 58.5 60.44 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -99.3 -5.11 30.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.09 4.31 38.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.41 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.48 159.61 41.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.331 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.6 mt -112.69 136.1 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.1 t -94.39 161.37 14.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -48.39 -54.0 15.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -54.95 -43.6 73.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.34 -63.25 1.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.95 -58.3 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 54.5 mt -50.79 -44.8 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.164 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -55.99 -45.19 79.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.75 -36.51 76.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.73 -25.49 61.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.87 -11.29 24.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -105.08 -57.95 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.457 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.87 126.89 31.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -60.44 -168.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.3 t -55.52 99.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.66 171.18 7.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.8 -45.28 44.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.83 -38.31 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.9 -57.79 7.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.158 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.83 -46.48 81.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.0 m -61.85 -39.23 91.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -68.76 -60.96 2.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -51.51 -38.08 52.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -74.23 -62.28 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.75 -52.92 28.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.51 -26.42 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.167 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -93.55 20.67 7.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm 64.14 15.0 9.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.741 0.305 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.25 -75.24 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -51.84 116.77 2.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.12 75.61 0.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -54.78 174.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.9 t -145.21 129.93 12.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.0 t -71.24 170.15 13.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.794 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -62.85 -56.57 16.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.08 -47.43 85.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -60.06 -54.63 43.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.3 tpt -50.74 -62.15 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.53 -54.4 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -50.86 -42.88 59.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 5.2 mt -65.04 -47.31 77.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.2 mmm-85 -52.03 -55.15 22.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.78 -34.96 79.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.44 -43.16 88.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.063 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 4.8 m-85 -77.04 -44.33 31.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.66 -20.18 66.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -65.06 -59.74 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.3 m -72.43 -8.36 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -74.53 73.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.75 -20.88 61.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.35 -11.12 14.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.08 63.37 4.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -109.64 -0.24 18.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.912 0.387 . . . . 0.0 110.947 -179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.17 18.16 64.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.414 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -137.23 166.48 23.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.819 0.342 . . . . 0.0 110.948 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.5 mt -137.07 125.3 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 t -104.22 -171.58 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -81.63 -21.08 38.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -64.63 -60.53 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.78 -46.58 87.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.0 mt -58.88 -54.77 43.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.89 -45.42 64.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -69.71 -31.14 68.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.816 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 tp -66.85 -55.2 15.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -66.73 -40.19 88.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -50.87 65.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.29 -8.48 55.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.055 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.35 -21.56 66.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.17 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.9 m 64.76 80.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.17 155.36 58.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.559 0.695 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -7.0 19.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.673 2.249 . . . . 0.0 112.313 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mp -72.5 150.92 91.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.589 0.709 . . . . 0.0 110.938 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -166.6 0.19 Allowed 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.727 2.284 . . . . 0.0 112.331 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.52 -51.53 5.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -56.15 -28.79 59.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.944 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -62.74 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.6 p -57.12 -37.23 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -28.69 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -76.08 -42.89 45.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.6 pt -68.41 -38.57 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.5 t -72.21 -40.37 67.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -67.35 -43.56 81.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -69.61 -39.07 77.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.9 tp -63.44 -43.6 96.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 80.2 mmm -73.35 -32.89 64.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.9 -51.82 20.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.3 t -78.58 -13.95 59.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.191 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -90.72 -20.81 38.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.542 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -94.03 99.18 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 mp -83.58 -41.1 18.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -76.51 -19.1 58.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 64.0 59.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -114.27 -12.6 12.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.68 3.85 39.99 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.48 173.0 12.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.838 -179.869 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.2 mt -127.52 136.07 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.9 p -94.17 164.54 13.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -49.56 -54.01 20.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.31 -42.23 90.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -55.51 -62.98 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.43 -60.02 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 69.6 mt -49.63 -44.47 19.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -56.81 -42.83 80.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -65.46 -32.23 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -71.85 -39.09 69.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -89.87 -8.62 51.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -109.16 -79.21 1.1 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.2 mt -50.59 128.92 21.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.356 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -51.09 161.47 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.8 p -51.22 113.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.52 157.26 27.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.66 -32.97 65.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.5 m -70.78 -32.89 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.18 -49.98 44.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.054 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -42.23 92.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.0 m -63.4 -47.21 82.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -60.51 -57.43 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -51.73 -57.48 9.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -56.36 -58.15 9.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.59 -57.33 7.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.11 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -20.12 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -92.22 17.82 9.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm 64.24 14.73 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.853 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 mmt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.708 0.29 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.22 136.7 48.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 64.4 mtp85 -120.42 65.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.81 40.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m -54.64 174.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.7 t -145.29 109.55 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 m -51.73 166.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.811 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -58.9 -56.26 24.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -58.62 -42.64 88.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.61 -45.34 90.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -46.2 85.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 14.2 mtp -69.9 -51.03 36.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.24 -35.75 70.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.6 mt -76.48 -58.8 3.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -53.61 -37.22 62.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 7.8 pt-20 -74.48 -36.32 63.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.75 86.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -73.86 -50.55 19.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.84 -14.07 60.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.163 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -60.03 3.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.2 m -72.65 -16.9 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -64.33 100.31 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -57.31 4.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -179.849 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -76.78 -11.48 59.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.16 58.28 9.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.467 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.2 p-10 -103.07 -15.75 15.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.823 0.344 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.33 18.58 60.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -129.48 147.81 51.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 110.904 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.2 mt -129.63 123.08 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.177 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.4 m -95.32 -171.79 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -74.88 -26.78 59.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -68.61 -45.37 72.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.16 -43.48 82.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.4 tp -62.15 -59.96 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -54.17 -47.57 71.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.8 -44.35 97.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.73 -39.04 79.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -73.75 -34.67 64.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -40.78 68.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.88 -27.11 28.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.1 -18.6 58.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.0 m 53.95 32.11 14.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.805 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.0 mt -57.44 158.5 10.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.721 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 -6.41 18.57 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.739 2.293 . . . . 0.0 112.327 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.1 mt -72.22 154.91 92.02 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.643 0.735 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -168.79 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.247 . . . . 0.0 112.321 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.97 -48.14 6.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -58.0 -30.01 65.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -62.68 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.7 p -58.51 -39.24 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.6 ttp85 -68.39 -28.19 66.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -75.39 -48.32 23.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.9 pt -62.84 -39.16 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.0 t -73.67 -38.04 65.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -64.4 -47.17 80.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -68.43 -46.33 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.2 tp -55.19 -43.55 74.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -44.55 70.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.769 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.66 -38.24 87.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.5 t -97.03 6.56 48.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.106 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -107.55 -13.76 19.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.509 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -106.73 114.87 29.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.903 0.382 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.59 -63.34 1.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -75.05 -12.99 60.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 63.61 55.19 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.6 p-10 -96.61 -11.91 24.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.1 16.8 29.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -147.42 143.08 27.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.333 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.6 mt -113.7 133.02 61.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.8 t -97.43 165.25 12.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -49.94 -54.65 18.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -57.61 -39.7 77.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -57.61 -63.73 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.03 -55.85 18.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.9 mt -54.67 -40.14 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.053 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -61.16 -33.71 73.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -77.03 -32.2 19.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -70.71 -39.76 73.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -95.12 -14.35 24.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.92 -98.85 0.75 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 pp -49.32 151.15 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -54.25 175.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.797 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.7 m -57.32 126.12 25.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.16 146.15 46.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -57.92 -44.49 86.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.6 m -58.72 -32.8 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.03 -47.39 80.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.05 -44.12 90.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.3 m -60.51 -41.02 93.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.233 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -66.66 -59.76 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -52.53 -37.56 57.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -72.71 -62.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.42 -50.85 50.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -57.71 -25.14 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -95.82 22.13 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? 63.48 15.38 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 119.207 -0.425 . . . . 0.0 110.901 179.879 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 ptt? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.03 135.98 39.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -107.79 56.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.3 27.22 0.14 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -77.11 -173.17 2.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.948 0.404 . . . . 0.0 110.821 -179.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.0 p -168.01 121.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 m -61.33 173.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -68.06 -56.4 9.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.798 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -54.67 -43.58 72.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -69.54 -47.37 63.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.5 tpt -51.63 -42.82 62.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.5 mtt -73.04 -57.32 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.91 -30.92 16.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.836 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.7 mt -79.15 -61.78 1.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -51.23 -37.3 46.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.814 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -75.91 -36.56 59.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.946 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.67 -35.86 77.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.1 -52.35 9.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.11 -27.16 19.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.9 -59.72 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.7 t -70.41 -15.27 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -71.7 79.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 p -73.03 -41.98 63.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -83.32 -11.44 57.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.85 60.27 7.53 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -112.77 -16.01 12.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.863 0.364 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.4 18.9 72.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.534 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -131.0 153.16 49.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 110.942 -179.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.8 mt -133.31 132.94 58.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -104.05 -171.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.6 -36.58 62.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -61.3 -43.54 98.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -60.78 -56.04 25.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.4 mt -58.69 -58.81 6.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.968 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -50.71 -36.81 38.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.67 -48.99 67.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.56 -32.24 72.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -82.2 -28.07 32.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.48 -27.28 41.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.44 -24.13 25.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.98 -24.38 38.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 91.0 m 52.05 81.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.963 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.4 mt -117.91 157.48 48.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.615 0.722 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 75.05 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.652 2.234 . . . . 0.0 112.385 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.41 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 0.8 OUTLIER -160.59 157.49 23.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 45' ' ' LEU . 54.4 Cg_endo -69.65 -170.87 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 179.798 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.93 -49.4 6.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.534 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -52.46 -27.38 15.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.896 0.379 . . . . 0.0 110.926 -179.784 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -63.01 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.6 p -59.83 -36.83 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -69.68 -28.46 65.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -75.97 -46.09 31.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.0 pt -65.21 -38.41 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.0 t -73.66 -38.2 65.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -67.49 -48.14 67.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -67.39 -42.8 82.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.6 tp -60.82 -42.12 97.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.5 mmm -69.79 -39.33 76.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.5 -49.22 64.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.5 t -80.63 -6.74 58.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.82 -22.4 23.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.85 107.25 18.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.882 0.372 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.91 -54.92 7.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.28 -17.74 62.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 63.91 56.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -106.06 -19.01 13.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.97 22.09 8.57 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -152.46 136.78 16.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.32 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.4 mt -109.6 125.44 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 p -92.17 166.32 12.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -49.23 -54.8 14.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -58.44 -38.95 78.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -59.74 -63.46 1.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -53.83 28.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 47.3 mt -57.71 -40.39 75.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -60.62 -31.21 70.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -81.7 -29.77 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -77.75 -27.06 50.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -109.28 -10.59 14.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.68 -12.32 59.55 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.476 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mp -143.03 149.06 37.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -50.84 166.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.94 101.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.98 149.56 22.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -51.76 -48.34 63.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.5 m -62.91 -37.36 79.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.134 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.11 -58.53 7.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -57.72 -45.45 85.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.4 m -60.77 -35.29 76.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -68.34 -62.02 1.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.96 -29.91 60.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -75.29 -57.48 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.84 -22.29 64.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -93.9 -22.93 5.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -67.26 -53.44 29.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -52.57 -45.07 66.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.947 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.966 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 tpt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.767 0.318 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.38 -58.16 4.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -100.39 26.55 6.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.8 18.84 56.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.535 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 p -61.84 175.58 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.934 0.397 . . . . 0.0 110.851 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -145.27 114.6 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -54.84 164.84 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.76 -56.01 27.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -57.95 -58.22 9.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -51.65 -50.02 61.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.4 tpt -51.75 -56.17 15.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -56.41 19.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.61 -34.87 39.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.81 -60.26 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 1.1 ppt_? -54.79 -35.42 63.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -75.49 -29.99 59.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.923 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.12 -33.86 68.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -77.04 -49.8 14.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.71 -21.17 65.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -65.29 -59.72 3.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.4 m -71.8 -12.12 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -88.83 78.42 7.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.45 -22.57 61.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.49 -11.56 57.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.65 51.79 55.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -106.51 -16.07 14.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.65 2.1 90.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -119.4 166.25 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.902 -179.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.1 mt -136.18 132.74 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.157 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.5 p -104.13 -171.71 1.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -81.49 -24.84 36.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -63.93 -60.88 2.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -62.09 -30.01 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 mt -64.23 -56.71 12.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -63.3 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -67.2 -38.2 84.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -67.61 -50.67 56.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -63.31 -37.84 88.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.4 -28.69 59.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.22 -10.34 59.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.16 -24.7 42.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 68.9 m 57.28 55.34 5.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.05 160.21 43.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.551 0.691 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 75.91 1.15 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.709 2.273 . . . . 0.0 112.355 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mp -143.95 151.55 52.91 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.709 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.404 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 52.7 Cg_endo -69.79 -165.17 0.15 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.744 2.296 . . . . 0.0 112.349 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.45 -44.26 2.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -51.44 -35.23 38.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.889 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.404 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 2.6 tpt85 -61.61 -59.56 5.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.5 t -53.48 -49.89 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.162 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -25.83 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -77.28 -52.48 9.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.4 pt -59.4 -39.84 80.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.4 t -71.25 -41.42 70.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -60.8 -45.99 92.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.423 ' N ' HD22 ' A' ' 56' ' ' ASN . 1.2 m-80 -66.69 -53.61 31.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.4 tp -49.96 -41.25 46.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -55.66 12.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.01 -46.1 71.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.7 t -86.67 6.37 31.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -120.39 13.96 10.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.436 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -129.21 110.07 11.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.27 -48.33 8.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -73.45 -18.81 61.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 63.76 53.28 2.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -112.75 -20.6 11.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.25 23.24 7.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.484 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -144.31 135.81 25.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.833 0.349 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.2 mt -109.0 123.78 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.0 t -88.25 165.6 14.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.43 -52.94 33.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -59.34 -40.56 86.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -56.15 -62.54 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.86 -58.62 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 80.4 mt -50.62 -44.44 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.6 mttp -56.67 -42.12 78.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -68.17 -32.68 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -70.39 -38.64 74.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -88.34 -15.55 35.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -96.53 -81.31 1.57 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.42 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.2 mt -50.83 154.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.95 0.405 . . . . 0.0 110.926 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -60.59 -169.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.4 m -79.98 57.04 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.65 159.38 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.59 -31.7 71.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.2 -34.4 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.73 -51.01 62.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.096 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -62.69 -44.07 97.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 95.5 m -62.17 -37.5 85.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.193 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -66.97 -61.2 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -52.25 -41.59 62.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -69.25 -61.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.76 -55.4 14.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.043 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -25.86 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.085 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -80.88 -53.51 6.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -58.63 -41.91 87.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 mptt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.841 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.752 0.311 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.4 177.04 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 83.3 mtm-85 -108.35 -41.37 4.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.74 12.31 69.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.442 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -90.03 -170.16 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.357 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 p -169.01 121.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.1 t -58.93 172.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -66.38 -56.18 12.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -55.31 -45.92 76.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.44 -40.71 85.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.8 tpt -56.92 -45.34 82.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 32.7 mtp -73.78 -49.92 23.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -36.78 67.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.6 mt -77.11 -60.85 2.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 1.3 ppt_? -50.56 -37.01 37.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 16.7 pt-20 -76.24 -34.97 59.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.45 80.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -77.83 -53.17 7.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.7 -24.4 48.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -59.59 4.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 t -67.94 -22.68 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -77.22 61.9 2.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -21.24 58.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -91.1 -11.25 39.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.63 60.28 6.77 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -113.11 -15.8 12.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.358 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.61 18.32 78.52 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -131.6 157.94 42.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 -179.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.7 mt -136.34 121.54 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.8 t -94.26 -171.76 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -81.51 -23.52 37.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -65.54 -61.08 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -59.15 -32.11 69.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tp -64.86 -58.05 7.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.41 -37.78 73.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -71.55 -35.71 70.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.12 -40.82 82.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -74.25 -38.98 63.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -71.45 -44.96 63.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.29 -19.35 54.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.45 -26.92 68.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.0 m 65.25 97.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.444 ' N ' ' CD1' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -133.2 158.47 75.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.97 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -5.88 17.23 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 2.275 . . . . 0.0 112.4 179.832 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.6 mt -71.47 153.59 93.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.619 0.724 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -167.31 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.673 2.249 . . . . 0.0 112.3 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.12 -55.44 2.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.46 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -49.94 -36.2 26.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.854 0.359 . . . . 0.0 110.892 -179.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.82 -49.03 76.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.49 -46.66 89.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.048 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -62.35 -24.48 67.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -78.99 -54.85 5.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.9 pt -55.53 -38.91 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -73.5 -43.26 60.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -62.51 -41.12 98.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -71.36 -44.91 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.5 tp -57.46 -41.17 80.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.2 mmm -74.09 -41.37 61.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.18 96.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.177 179.863 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.6 t -93.47 6.37 48.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -123.68 18.39 7.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -132.72 98.05 4.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.82 0.343 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.83 -54.92 15.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -73.92 -18.32 60.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 62.26 51.93 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -102.69 -19.14 14.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.03 23.2 7.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -148.24 136.19 20.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.5 mt -111.87 128.81 68.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.6 p -91.45 170.0 10.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -51.04 -56.55 11.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -57.9 -40.22 79.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.806 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -56.87 -62.75 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.28 -56.58 18.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.0 mt -51.57 -41.78 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -59.1 -46.24 88.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.34 -32.94 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.079 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -70.82 -40.46 72.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.34 -15.94 48.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.06 -44.7 4.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.419 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.7 mt -90.72 -73.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.15 33.48 12.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.1 p -151.65 23.19 0.7 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.7 t -117.69 158.45 24.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.8 -25.14 52.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.1 m -69.35 -32.87 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.182 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.08 -51.68 43.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -63.83 -43.89 94.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.0 m -63.33 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.138 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -65.37 -58.73 5.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -53.06 -45.74 68.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -66.33 -60.13 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.0 -55.97 12.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -23.12 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -83.86 -63.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -55.22 -45.19 75.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.827 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptp . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.748 0.308 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.39 135.05 33.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.031 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -70.37 155.08 41.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.65 20.79 5.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.456 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.11 175.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.946 0.403 . . . . 0.0 110.837 -179.706 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t -145.26 125.17 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 m -62.33 167.63 4.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.25 -56.22 24.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.18 -55.81 29.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -54.38 -52.71 60.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.1 tpt -51.26 -43.46 61.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 30.8 mtp -66.99 -60.55 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.18 -34.15 30.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.6 mt -76.17 -60.93 2.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -51.16 -36.58 41.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 19.3 pt-20 -76.75 -34.97 58.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.51 -37.11 82.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -78.05 -51.19 10.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.67 -22.67 57.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -63.91 -60.19 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 m -68.96 -12.47 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.843 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -74.12 75.32 1.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.3 m -72.3 -26.4 61.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -95.31 -10.63 29.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.48 63.01 5.37 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.468 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -112.17 -15.95 13.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.36 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.21 18.47 69.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -136.17 164.89 27.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 89.9 mt -137.07 123.05 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -97.45 -171.4 2.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -81.06 -23.84 38.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -63.5 -60.79 2.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -60.33 -34.89 74.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.21 -62.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -52.15 -42.6 63.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.46 -39.85 85.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.814 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.93 -37.4 86.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -77.15 -35.05 56.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -48.2 51.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.965 179.892 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.76 -29.9 20.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.814 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.07 -24.87 42.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.9 t 59.26 66.47 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.6 mt -94.54 158.98 34.63 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.623 0.725 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -7.11 20.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.8 mt -72.58 153.01 91.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.512 0.672 . . . . 0.0 110.978 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -169.27 0.32 Allowed 'Trans proline' 0 C--N 1.34 0.105 0 C-N-CA 122.676 2.251 . . . . 0.0 112.309 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.15 -54.03 5.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.503 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -53.66 -27.32 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 110.943 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -62.78 1.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 p -59.59 -36.58 65.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.164 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -70.32 -28.26 65.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -76.14 -44.47 38.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.5 pt -67.07 -38.01 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 t -73.45 -38.31 65.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.069 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -67.67 -46.51 72.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -68.46 -42.91 78.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.4 tp -60.27 -45.65 92.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 85.4 mmm -68.77 -39.07 80.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.74 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.22 80.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.2 t -89.8 5.43 46.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.125 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -115.0 25.84 9.73 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -135.0 138.59 44.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.93 -43.03 13.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -108.04 -1.06 20.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 63.51 20.62 12.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -60.28 -20.45 59.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.15 -1.51 40.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 53.9 mtt-85 -121.55 135.92 54.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.725 0.297 . . . . 0.0 110.934 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.8 mt -111.25 125.7 68.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.3 t -92.09 169.06 10.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -50.2 -56.57 10.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.36 -40.58 78.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.97 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -55.95 -62.97 1.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.821 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.95 -56.78 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 37.7 mt -50.86 -40.2 19.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -60.58 -49.99 75.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.71 -32.4 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.153 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -71.87 -40.71 68.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -80.58 -17.17 52.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.12 -80.75 1.47 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.7 mt -51.49 137.53 23.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -60.4 -171.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.821 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.5 p -61.73 95.23 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.97 164.33 11.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.149 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.87 -34.91 64.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.8 m -67.08 -37.87 80.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.16 -48.35 62.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -65.12 -37.37 87.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.3 m -67.01 -42.79 84.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.05 -58.15 6.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -52.39 -46.54 66.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -66.41 -61.52 1.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.01 -56.29 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -24.45 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -95.16 22.87 6.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt 58.86 19.43 7.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 35.6 mttt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.834 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.526 0.021 0 CA-C-O 120.783 0.325 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.33 -179.18 6.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.031 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -150.53 153.3 35.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 -179.907 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.84 64.81 0.33 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -67.46 90.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.94 0.4 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 m -49.62 118.23 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 63.1 m -57.98 173.31 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.71 -49.82 64.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -60.83 -58.96 6.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -51.54 -55.54 18.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -42.85 55.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 mtt -68.08 -61.49 1.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.68 -32.19 18.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.8 mt -79.3 -62.03 1.82 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -50.4 -37.15 36.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 2.2 pp20? -76.14 -37.6 57.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.76 -36.38 74.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -78.27 -50.64 11.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.73 -22.27 57.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -62.91 -60.17 3.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.2 m -70.51 -17.47 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.193 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -61.48 95.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.2 p -72.73 -52.08 16.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 -179.854 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -80.05 -11.17 59.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.3 58.41 11.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 -179.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.1 p-10 -112.45 -15.64 13.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.64 18.51 54.62 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -121.95 152.81 39.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.883 0.373 . . . . 0.0 110.933 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.7 mt -136.99 118.73 18.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -103.19 -172.36 2.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -67.18 -24.02 65.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -68.01 -57.18 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 -179.843 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.16 -45.48 87.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.07 -62.68 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.12 -37.85 48.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -71.96 -33.24 68.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.4 -41.41 66.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -76.56 -31.83 57.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -77.19 -50.32 13.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.08 -30.49 36.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.087 179.781 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.06 -21.65 46.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 93.5 m 55.39 54.6 8.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.2 mt -78.47 158.39 76.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.595 0.712 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -6.83 19.51 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mp -72.49 153.48 91.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.596 0.712 . . . . 0.0 110.937 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -166.95 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.377 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.33 -49.78 5.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -56.84 -31.28 64.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.929 0.395 . . . . 0.0 110.938 -179.82 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -62.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.56 -35.88 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -70.46 -28.54 65.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.41 -44.76 34.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.4 pt -66.67 -37.68 80.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.2 t -74.03 -39.75 63.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.57 -47.11 73.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.801 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -68.18 -43.58 77.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.0 tp -57.71 -48.7 78.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.7 mmm -66.07 -41.01 91.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.37 -45.06 92.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.079 179.907 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.6 t -89.36 6.21 41.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -117.44 13.65 13.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -121.1 125.16 46.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.89 0.376 . . . . 0.0 110.837 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 mt -82.85 -60.93 2.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -93.9 -5.97 46.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 60.38 49.43 6.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -81.66 -14.41 56.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.1 15.39 19.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.883 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -156.04 152.22 27.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.2 mt -117.45 130.18 72.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.6 p -92.82 173.69 7.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.98 -57.83 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -54.59 -40.99 69.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -56.18 -62.65 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.23 -56.04 25.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.9 mt -51.27 -41.91 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -60.21 -48.21 82.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.12 -32.48 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -70.44 -41.03 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.69 -10.45 55.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -96.56 -53.83 1.4 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.2 mt -64.67 163.57 13.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -91.09 60.79 4.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 m 51.7 51.43 16.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.0 m -56.54 161.02 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -44.63 82.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.5 m -56.61 -37.32 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.41 -57.99 8.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -57.48 -39.02 75.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.7 m -64.76 -38.66 91.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -66.52 -59.95 3.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.777 -179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -51.98 -43.38 63.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -68.74 -62.85 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.39 -56.96 7.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -26.9 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -80.77 -28.43 36.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -68.67 -30.76 69.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.894 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.835 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.694 0.283 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.72 177.85 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -109.81 -44.33 3.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.72 48.44 1.84 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 m -61.0 -171.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.824 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.1 p -160.24 127.4 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.0 m -67.56 171.33 6.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -66.09 -56.36 11.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.803 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.06 -45.7 83.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.01 -50.78 64.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.8 tpt -51.71 -43.62 62.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.0 mtp -66.89 -61.21 2.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -50.79 -33.69 24.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.3 mt -76.7 -61.07 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -50.85 -36.18 36.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 179.974 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.461 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 8.9 pt-20 -77.3 -34.9 55.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.1 -35.95 78.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -80.18 -51.43 8.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.2 -23.51 48.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -59.61 4.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.4 t -71.05 -16.72 19.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -74.14 71.42 1.65 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.92 -29.31 63.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 -179.886 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -85.16 -11.64 54.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.95 59.58 6.87 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 -112.29 -16.4 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.96 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.87 5.85 84.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -123.79 166.28 15.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.894 0.378 . . . . 0.0 110.96 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.3 mt -136.69 113.58 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.2 t -87.55 -171.39 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -80.05 -33.43 39.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -53.56 -60.49 3.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -59.66 -47.57 85.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.79 -62.23 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -53.22 -39.28 63.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.08 -39.33 93.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.95 -46.65 67.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -66.07 -31.11 71.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -25.64 28.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.18 3.57 42.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.78 -11.85 49.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.2 m 64.98 55.86 1.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -133.39 140.8 38.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.662 0.744 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 90.98 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.709 2.273 . . . . 0.0 112.378 179.832 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.5 mt -114.58 150.2 43.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -7.66 21.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.737 2.291 . . . . 0.0 112.35 179.853 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.75 -58.28 1.09 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.507 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -58.59 -32.39 68.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -61.89 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.3 p -55.96 -36.5 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -71.04 -28.81 64.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -75.08 -45.26 42.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.7 pt -65.18 -40.43 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.2 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.1 t -70.92 -39.82 72.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -68.34 -41.33 80.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -68.92 -43.82 74.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.72 -46.3 90.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 83.8 mmm -71.27 -30.48 66.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.07 -40.3 62.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.5 t -94.67 6.19 49.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -114.58 1.5 23.41 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.529 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -107.0 108.0 19.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.885 0.374 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.25 -59.6 2.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.26 -11.75 61.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.811 179.824 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 63.57 49.21 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -100.13 -15.81 18.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.92 -17.25 45.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.554 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.49 151.85 37.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.808 -179.799 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.4 mt -113.26 120.91 64.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 p -82.22 170.8 15.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.808 -179.835 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -49.81 -59.39 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -55.16 -42.48 73.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -56.53 -62.9 1.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.98 -57.49 11.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.4 mt -50.78 -41.67 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -59.15 -47.09 86.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.94 -33.8 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.069 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -70.59 -40.74 73.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.58 -20.98 45.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.79 -19.12 35.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.529 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.5 mt -137.78 84.98 2.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.953 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -95.02 28.21 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 179.854 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 m -140.79 28.13 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.11 144.89 39.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.78 -35.82 67.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.1 m -57.03 -38.11 58.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.02 -56.76 12.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -55.16 -47.82 74.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.3 m -58.87 -41.32 86.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -60.21 -60.72 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -51.37 -46.23 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -62.4 -63.08 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.54 -54.98 15.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.058 179.821 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -24.82 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -93.94 20.68 7.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt 61.46 17.66 8.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.891 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptt? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.24 56.76 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -102.28 132.04 48.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.34 15.48 57.56 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 p -74.95 -177.21 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -158.46 123.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.7 p -65.05 165.55 10.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.796 -179.809 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.31 -56.37 22.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -53.61 -58.46 7.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.04 -48.97 72.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.5 tpt -50.95 -42.91 60.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.7 mtt -68.17 -61.31 1.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -50.82 -31.79 18.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.9 mt -79.17 -61.05 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -51.36 -37.4 47.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 1.8 pp20? -75.49 -37.64 60.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.76 -36.94 77.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -75.25 -52.0 11.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.34 -24.16 53.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -60.3 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 m -68.34 -12.32 15.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -74.59 74.52 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.75 -23.51 60.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.184 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -100.35 -11.25 20.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.85 56.74 17.05 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -101.95 -16.05 16.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.896 0.379 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.25 18.52 68.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -142.5 171.85 13.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.941 -179.8 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.3 mt -134.29 129.91 53.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 82.0 p -104.11 -172.69 2.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -81.34 -22.19 38.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -63.96 -60.33 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 -179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.08 -36.65 82.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.31 -59.99 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.7 -51.79 68.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.952 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -56.11 -33.48 65.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.3 tp -68.88 -62.51 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -58.69 -25.32 62.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -37.56 26.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.24 -32.9 73.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.76 -24.68 36.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.7 t 65.8 30.5 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.38 156.98 1.31 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.631 0.729 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -8.47 23.67 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.356 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.74 152.86 91.4 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.56 0.695 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -165.37 0.15 Allowed 'Trans proline' 0 N--CA 1.466 -0.125 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 179.838 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.79 -51.86 5.28 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -56.32 -30.12 62.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -62.96 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 p -56.01 -35.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.073 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -70.5 -29.28 65.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.11 -45.18 42.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.9 pt -66.39 -39.99 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.2 t -71.3 -39.56 71.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -66.31 -43.85 85.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -67.33 -45.84 75.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.07 -43.19 91.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -42.39 84.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.4 -53.9 36.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.1 t -76.13 -4.81 43.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -99.98 -20.1 17.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -94.76 108.28 20.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.9 mp -81.02 -55.4 4.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.61 -14.83 62.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 63.79 33.87 12.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 p30 -86.42 -13.07 47.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.93 23.36 10.78 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.529 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -155.82 143.6 19.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.8 mt -105.98 135.18 45.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.46 164.03 12.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.854 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -49.08 -53.52 20.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.38 -41.56 80.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.7 -63.52 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.29 -58.06 7.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 72.8 mt -51.43 -45.79 34.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -56.82 -35.8 69.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.1 mp -74.51 -32.14 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.166 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -78.53 -23.0 46.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.97 -30.71 12.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.24 -56.43 1.69 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.84 72.32 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.92 0.391 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.52 9.54 20.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.797 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.5 t -94.15 23.78 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.54 145.33 40.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 -179.904 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -71.06 -37.7 72.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.4 m -52.87 -35.09 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.61 -62.82 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -53.74 -45.61 70.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.1 m -60.44 -38.81 85.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.214 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -62.63 -61.58 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -28.99 65.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.947 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -73.4 -49.44 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.74 -17.85 62.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -94.65 -21.12 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -90.42 16.25 9.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.4 mttp 63.45 15.69 8.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.824 0.345 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.8 -71.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -52.52 108.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.75 49.13 2.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.527 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -61.39 -169.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.719 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -167.0 126.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.082 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 m -65.48 167.35 8.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -65.38 -56.53 12.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -56.72 -47.11 80.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -63.64 -51.56 64.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.8 tpt -51.08 -41.53 60.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 45.9 mtp -66.98 -59.05 3.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.37 -34.69 58.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.423 HD11 ' HA ' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -75.43 -59.84 2.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -52.37 -37.32 55.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.92 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 19.1 pt-20 -75.01 -34.48 61.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.27 90.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -73.71 -48.79 29.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.46 -14.4 62.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -60.69 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.0 m -70.47 -17.96 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -73.29 77.07 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 t -59.48 -33.16 70.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.2 -11.24 38.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.35 58.99 11.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -103.24 -15.85 15.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.958 0.408 . . . . 0.0 110.932 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.81 18.28 65.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.428 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -136.45 144.92 44.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 0.0 110.931 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.0 mt -120.83 131.79 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.8 m -102.25 -171.83 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -74.81 -29.72 61.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -67.1 -48.58 67.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.36 -54.12 50.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.8 mt -57.54 -51.88 67.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.08 -53.67 54.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.68 -30.96 70.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tp -68.74 -41.78 78.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -81.41 -19.48 42.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.28 -41.7 18.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.3 -27.03 68.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.052 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.11 -24.42 40.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.164 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 t 54.97 38.84 31.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -73.63 154.26 89.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.739 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 76.9 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.639 2.226 . . . . 0.0 112.331 179.843 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.4 mt -155.48 155.72 30.07 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.634 0.73 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -169.19 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.42 -47.92 5.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -57.18 -31.07 65.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -62.93 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.96 -37.24 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.44 -28.34 66.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.89 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.55 -46.55 31.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.5 pt -65.02 -39.49 85.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.2 t -72.19 -39.44 68.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.51 -51.0 63.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -65.23 -39.23 92.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.844 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.03 -39.71 95.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -40.84 72.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.812 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.04 -42.98 88.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.0 t -92.79 6.13 48.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.161 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.49 -25.36 8.24 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.424 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -96.59 110.26 22.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.76 -51.3 35.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -82.7 -17.64 43.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 64.34 60.55 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -104.93 -7.32 19.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.98 16.34 17.16 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.424 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -155.81 168.46 27.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.1 mt -126.18 131.51 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 t -94.71 165.47 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.71 -53.94 27.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -59.68 -40.62 88.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -55.22 -62.1 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -57.82 10.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.423 ' HA ' HD11 ' A' ' 14' ' ' LEU . 26.3 mt -50.73 -40.57 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -60.51 -46.33 90.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.03 -31.02 51.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -72.91 -39.7 66.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -86.58 -10.91 52.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -107.19 -13.44 21.24 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 mt -143.38 80.06 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 110.911 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -93.04 44.92 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t -155.22 34.5 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.16 144.72 47.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 -179.899 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.77 -38.15 73.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.8 m -59.06 -34.01 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.35 -61.44 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -56.7 -39.93 74.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.5 m -60.43 -42.81 96.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -66.39 -60.23 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -51.35 -43.7 61.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -69.15 -63.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -48.95 -56.87 7.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.7 -24.55 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -83.94 -39.09 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -62.0 -29.75 70.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 mmt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.788 0.328 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.94 137.36 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.019 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.9 ttp85 -68.29 -68.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.46 16.31 2.69 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.534 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -57.41 175.2 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.959 0.409 . . . . 0.0 110.795 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.616 HG21 HG21 ' A' ' 75' ' ' ILE . 20.1 t -145.1 127.61 10.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 t -69.53 166.54 18.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -58.56 -56.29 24.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -57.99 -58.29 9.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.532 ' HG3' HD11 ' A' ' 14' ' ' LEU . 8.4 tp10 -51.28 -54.28 27.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.677 ' HA ' HD12 ' A' ' 14' ' ' LEU . 4.8 tpt -49.7 -62.23 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.08 -52.35 9.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -51.08 -48.2 61.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.794 HD13 HG23 ' A' ' 75' ' ' ILE . 2.6 mt -63.24 -46.26 87.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -50.74 -58.73 5.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -60.65 -36.84 79.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.55 -43.65 80.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 6.5 m-85 -76.28 -43.07 43.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.77 -20.08 66.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.135 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -66.75 -59.62 3.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 m -71.39 -22.95 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.08 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -69.51 86.36 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -72.57 -32.68 66.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -95.88 -11.41 26.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.48 60.9 6.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.411 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 -108.17 -15.88 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.381 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.06 18.28 63.35 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -128.03 148.88 50.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.943 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.461 ' CG2' HD13 ' A' ' 34' ' ' LEU . 40.6 mt -130.4 107.29 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t -84.48 -173.32 4.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -73.01 -26.77 61.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -66.59 -38.09 86.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.79 -44.04 67.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.516 HD11 ' HZ ' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -62.38 -49.02 77.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.07 -52.99 56.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -58.11 -32.16 67.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.778 ' CD2' HD12 ' A' ' 94' ' ' ILE . 4.3 tp -69.5 -62.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.431 ' HB2' HG23 ' A' ' 50' ' ' VAL . 6.5 m-85 -59.17 -32.57 70.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -36.14 63.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.75 -21.55 63.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.418 ' CB ' HD23 ' A' ' 43' ' ' LEU . . . -55.94 -29.74 60.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.583 ' C ' HD22 ' A' ' 43' ' ' LEU . 6.8 t 57.96 76.66 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.583 HD22 ' C ' ' A' ' 42' ' ' CYS . 4.6 mm? -126.13 158.64 65.65 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.727 ' O ' HD12 ' A' ' 45' ' ' LEU . 53.0 Cg_endo -69.79 73.84 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.764 2.309 . . . . 0.0 112.299 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.727 HD12 ' O ' ' A' ' 44' ' ' PRO . 1.7 mp -144.76 154.66 55.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.571 0.7 . . . . 0.0 110.822 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -168.79 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.607 2.205 . . . . 0.0 112.331 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -88.33 -44.71 5.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -59.69 -30.72 68.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.886 0.374 . . . . 0.0 110.928 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.62 ' HB3' HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -59.89 -63.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.565 ' O ' HG22 ' A' ' 54' ' ' THR . 5.6 p -59.26 -39.89 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -66.81 -26.52 66.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -77.4 -50.64 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.408 HD12 HG21 ' A' ' 89' ' ' THR . 21.4 pt -59.95 -39.21 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.565 HG22 ' O ' ' A' ' 50' ' ' VAL . 9.5 t -73.11 -42.84 62.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' N ' HG23 ' A' ' 54' ' ' THR . 68.4 mt-10 -64.87 -47.48 77.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.682 ' O ' HG22 ' A' ' 60' ' ' THR . 54.2 m-20 -66.42 -45.42 79.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.53 HD13 ' HB ' ' A' ' 86' ' ' VAL . 57.0 tp -57.36 -43.33 83.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -44.75 77.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.66 94.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 56' ' ' ASN . 14.7 t -93.4 6.51 47.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.203 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -112.85 -18.34 7.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -108.27 113.32 26.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.819 0.342 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.2 mp -86.09 -43.45 13.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -72.35 -19.6 61.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 62.17 55.1 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -108.14 -20.66 13.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.18 16.82 15.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -148.42 136.15 20.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.713 0.292 . . . . 0.0 110.927 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.524 HG23 ' HB3' ' A' ' 73' ' ' GLU . 18.0 mt -103.92 132.53 50.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -95.52 167.37 11.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -50.73 -55.03 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -58.08 -41.2 82.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.524 ' HB3' HG23 ' A' ' 69' ' ' ILE . 9.1 mt-10 -55.33 -62.58 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.516 ' HZ ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -55.74 -58.79 6.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.794 HG23 HD13 ' A' ' 14' ' ' LEU . 54.5 mt -49.35 -41.97 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -59.19 -51.65 69.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.468 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -57.58 -32.35 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -71.95 -40.53 68.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -82.94 -11.75 57.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -97.16 -85.78 1.79 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.468 HD12 HG23 ' A' ' 77' ' ' ILE . 44.2 mt -51.74 133.01 31.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -58.83 -176.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -51.69 103.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -107.99 171.88 7.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.447 ' H ' HG22 ' A' ' 84' ' ' THR . 1.4 m-20 -76.96 -44.88 29.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.53 ' HB ' HD13 ' A' ' 57' ' ' LEU . 26.4 m -63.21 -38.65 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.45 -60.33 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -56.12 -43.79 78.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.408 HG21 HD12 ' A' ' 53' ' ' ILE . 89.3 m -61.11 -37.3 82.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 32.0 t80 -67.23 -60.68 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -51.65 -41.76 61.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -70.01 -62.05 1.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.79 -53.66 23.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.778 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -56.32 -25.63 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -93.72 20.52 7.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.3 mttm 64.22 15.09 9.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.831 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 mtt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.75 0.31 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.92 102.28 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -137.92 135.93 36.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.5 14.3 81.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 m -62.92 174.52 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.005 0.431 . . . . 0.0 110.779 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.691 HG21 HG21 ' A' ' 75' ' ' ILE . 21.4 t -145.26 133.68 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.094 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.0 m -69.12 169.6 11.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.779 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.4 -56.52 15.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.9 -47.36 86.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.485 ' HG3' HD11 ' A' ' 14' ' ' LEU . 6.7 tp10 -59.86 -54.98 39.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.511 ' HA ' HD12 ' A' ' 14' ' ' LEU . 4.5 tpt -51.01 -62.03 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.04 -52.89 11.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -50.43 -50.85 50.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.907 HD13 HG23 ' A' ' 75' ' ' ILE . 2.9 mt -61.97 -43.93 97.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -51.44 -60.0 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -60.13 -35.93 76.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.411 ' CB ' HG21 ' A' ' 94' ' ' ILE . . . -57.76 -42.86 84.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 8.0 m-85 -75.69 -42.04 52.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.92 -20.48 65.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.083 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -67.35 -59.72 3.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.7 m -74.88 -17.97 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -77.8 63.49 2.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.7 -21.45 61.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -96.01 -11.03 27.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.21 59.91 7.83 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.2 p-10 -112.41 -16.1 12.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.895 0.378 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.67 17.37 79.95 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.485 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -133.85 160.84 36.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.851 0.357 . . . . 0.0 110.889 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.464 HD12 ' CE1' ' A' ' 74' ' ' PHE . 77.8 mt -135.06 118.6 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.2 p -90.24 -172.7 3.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -81.41 -24.22 37.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -65.89 -60.76 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.439 ' HG3' HG23 ' A' ' 29' ' ' ILE . 10.9 pt-20 -59.26 -35.7 74.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -64.51 -60.23 3.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -51.6 -47.77 63.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -63.7 -47.45 81.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.414 ' C ' HD13 ' A' ' 37' ' ' LEU . 2.7 tm? -53.71 -37.97 63.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -75.3 -38.2 60.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HD2' HG11 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -70.07 -21.84 63.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.3 3.54 30.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.075 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.09 -20.43 39.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.3 t 64.6 48.65 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.1 mt -133.32 160.07 70.09 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.605 0.717 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 76.72 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.323 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 tp -131.5 136.35 28.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.678 0.751 . . . . 0.0 110.933 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -168.86 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.278 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.36 -41.43 6.54 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -63.07 -30.98 72.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -65.99 -63.04 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.437 HG11 ' HD2' ' A' ' 39' ' ' LYS . 6.1 p -58.48 -37.93 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.434 ' HA ' HG22 ' A' ' 54' ' ' THR . 32.4 ttp180 -69.71 -29.94 67.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -75.16 -48.01 25.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.735 HD12 HG21 ' A' ' 89' ' ' THR . 22.0 pt -64.81 -39.56 86.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.434 HG22 ' HA ' ' A' ' 51' ' ' ARG . 12.8 t -71.71 -38.3 70.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.02 -42.73 89.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.705 ' O ' HG22 ' A' ' 60' ' ' THR . 75.0 m-20 -69.03 -45.29 70.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.79 -44.66 90.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -36.81 74.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.97 -39.09 79.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 56' ' ' ASN . 14.1 t -96.36 6.44 48.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -108.59 -19.97 8.43 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -100.79 103.77 15.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.339 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.7 mp -83.86 -49.86 8.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.96 -19.08 62.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 63.55 41.1 7.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -84.18 -10.91 57.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.91 -13.5 49.54 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.456 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -135.73 157.73 46.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.448 HG23 ' HB3' ' A' ' 73' ' ' GLU . 14.9 mt -103.45 134.44 44.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.9 p -97.18 166.56 11.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -50.42 -54.89 18.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -55.74 -42.9 76.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.448 ' HB3' HG23 ' A' ' 69' ' ' ILE . 5.5 mt-10 -55.27 -62.52 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.464 ' CE1' HD12 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -55.63 -59.16 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.907 HG23 HD13 ' A' ' 14' ' ' LEU . 69.6 mt -48.73 -42.33 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -61.37 -42.89 99.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 73' ' ' GLU . 1.6 mp -64.4 -32.74 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -73.33 -39.53 65.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.89 -19.55 44.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.98 -62.66 0.96 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 mt -104.94 68.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -79.78 -2.17 42.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -100.63 28.64 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.98 144.75 36.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.32 -38.99 82.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.0 m -59.64 -36.77 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.8 -53.68 55.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -62.59 -45.09 94.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.735 HG21 HD12 ' A' ' 53' ' ' ILE . 98.9 m -56.61 -37.86 71.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.643 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 23.7 t80 -72.01 -59.08 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -50.85 -32.47 20.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.47 -57.01 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.71 -26.43 33.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.643 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -85.84 -24.27 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -94.09 22.12 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? 61.89 16.56 8.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.12 -75.43 0.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -99.78 170.06 8.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.38 59.87 0.36 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.465 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -54.68 174.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.656 HG21 HG21 ' A' ' 75' ' ' ILE . 18.8 t -145.72 113.51 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.1 m -52.06 159.99 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -53.06 -56.3 17.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -56.53 -57.17 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.43 ' HG2' HG13 ' A' ' 6' ' ' VAL . 1.8 tp10 -50.66 -53.17 33.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -42.87 63.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.9 mtt -67.11 -60.73 2.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.957 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -52.15 -33.1 38.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.697 HD13 HG23 ' A' ' 75' ' ' ILE . 33.1 mt -76.73 -59.99 2.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -52.65 -36.71 57.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.449 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 20.7 pt-20 -75.4 -35.76 60.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.6 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -62.12 -37.21 84.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -75.14 -51.09 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.16 -21.08 64.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -59.88 4.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.45 HG12 HD23 ' A' ' 37' ' ' LEU . 15.5 m -71.61 -14.21 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.044 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -67.39 88.83 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 p -72.36 -28.93 63.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -100.65 -11.24 20.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.19 61.41 7.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -111.69 -15.85 13.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.368 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.9 18.39 59.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -130.9 153.63 48.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.945 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.5 mt -132.67 131.43 59.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 p -104.19 -171.1 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.805 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -74.19 -36.82 64.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -62.72 -43.57 98.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -58.04 -57.13 14.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.741 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 17.7 mt -58.75 -47.21 85.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -51.27 -48.6 62.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -70.3 -29.09 65.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 37' ' ' LEU . 2.6 tm? -69.22 -43.91 73.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.741 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 8.5 m-85 -81.3 -25.66 36.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -43.19 23.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.76 -19.19 63.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.01 -24.04 36.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.0 m 59.24 23.87 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.855 HD11 HD12 ' A' ' 45' ' ' LEU . 1.6 pt? -67.98 154.2 94.12 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.637 0.732 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 78.32 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.855 HD12 HD11 ' A' ' 43' ' ' LEU . 50.6 mt -154.69 155.5 30.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 -169.15 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.268 . . . . 0.0 112.386 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.1 -52.44 3.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -51.69 -32.15 28.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.28 -51.36 69.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.7 t -64.86 -48.12 85.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -25.45 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -76.71 -54.88 6.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.6 pt -56.77 -39.95 67.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.9 t -72.45 -38.02 68.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -65.69 -43.18 89.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.706 ' O ' HG22 ' A' ' 60' ' ' THR . 80.1 m-20 -69.29 -48.2 62.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.73 -43.3 85.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.584 ' SD ' HD12 ' A' ' 34' ' ' LEU . 85.8 mmm -68.21 -42.94 79.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -45.36 88.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.706 HG22 ' O ' ' A' ' 56' ' ' ASN . 14.2 t -88.83 6.27 39.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.02 -10.87 21.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.456 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -107.96 109.14 20.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.4 mp -86.1 -51.71 6.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -71.66 -14.75 62.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 63.8 26.61 14.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -71.04 -18.98 62.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.98 9.13 35.16 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.527 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -148.09 163.28 37.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 73' ' ' GLU . 14.2 mt -119.85 127.44 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.8 p -93.66 169.76 10.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.67 -54.78 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -57.7 -41.24 81.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.542 ' HB3' HG23 ' A' ' 69' ' ' ILE . 18.0 mt-10 -56.89 -62.67 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.64 -57.59 10.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.697 HG23 HD13 ' A' ' 14' ' ' LEU . 55.9 mt -50.9 -42.4 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.199 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -58.69 -45.68 88.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.579 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -62.91 -34.06 64.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.509 ' CD1' HD21 ' A' ' 14' ' ' LEU . 2.0 m-85 -69.64 -40.62 76.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -82.55 -16.85 47.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.85 -84.62 1.48 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.515 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.579 HD12 HG23 ' A' ' 77' ' ' ILE . 41.7 mt -51.61 133.26 30.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.853 0.358 . . . . 0.0 110.929 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -57.79 -178.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.52 102.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.443 HG22 ' H ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -105.37 171.32 7.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.173 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.443 ' H ' HG22 ' A' ' 84' ' ' THR . 2.1 m-20 -77.33 -44.1 30.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.4 m -62.79 -39.47 85.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.61 -57.23 13.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -57.21 -47.17 81.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.3 m -59.54 -35.3 73.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.064 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.724 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 31.2 t80 -67.55 -60.76 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -51.78 -41.24 61.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -70.38 -61.82 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.0 -56.21 13.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.724 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -52.62 -28.15 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.86 -65.82 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -54.67 -34.83 62.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.859 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 ptp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.836 0.351 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.35 126.52 1.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -65.22 91.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.12 42.83 2.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.464 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 m -61.31 -172.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 6' ' ' VAL . 5.6 p -158.3 118.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.089 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.9 m -56.6 160.44 3.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -53.75 -56.4 17.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.7 -56.46 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -51.1 -53.14 36.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.11 -47.62 61.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -60.61 3.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.18 -30.73 17.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.723 HD13 HG23 ' A' ' 75' ' ' ILE . 13.9 mt -76.41 -61.32 1.99 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -51.29 -36.6 43.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 9.3 pt-20 -75.99 -35.62 59.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.644 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -64.17 -33.47 75.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -79.15 -51.71 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.59 -24.28 60.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -59.75 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.9 m -78.0 -6.27 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -77.19 61.38 2.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.37 -22.61 61.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -87.73 -11.03 49.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.832 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 54.8 47.7 70.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.525 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -112.68 -16.09 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.919 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.92 18.65 62.83 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.538 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -128.2 152.73 47.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.886 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 55.1 mt -129.14 118.43 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.9 t -92.76 -171.48 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -75.36 -27.8 59.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -68.39 -43.71 76.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.59 -56.91 16.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.673 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 16.9 mt -59.23 -50.07 75.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.02 -51.52 63.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -64.14 -29.9 70.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.771 ' CD2' HD12 ' A' ' 94' ' ' ILE . 4.5 tp -69.88 -59.28 3.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.673 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 8.4 m-85 -63.9 -25.72 68.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.22 -42.04 24.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.55 -22.17 63.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.62 -22.69 35.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.181 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.9 m 59.24 84.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 mp -118.71 160.22 41.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.616 0.722 . . . . 0.0 110.923 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -7.39 20.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.414 HD22 ' HG3' ' A' ' 49' ' ' ARG . 74.7 mt -72.82 153.92 91.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.631 0.729 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -169.36 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.706 2.27 . . . . 0.0 112.323 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.05 -50.47 5.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.546 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -55.37 -30.42 60.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.904 0.383 . . . . 0.0 110.946 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.414 ' HG3' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.16 -63.34 1.34 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.452 HG23 ' HB2' ' A' ' 38' ' ' PHE . 3.5 p -57.6 -36.62 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.403 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.1 OUTLIER -68.65 -29.02 67.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -74.56 -48.76 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.6 pt -62.34 -40.38 87.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.078 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 51' ' ' ARG . 14.9 t -72.03 -37.26 69.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -68.15 -42.81 79.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.707 ' O ' HG22 ' A' ' 60' ' ' THR . 75.2 m-20 -69.26 -46.24 67.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.805 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.56 -45.49 91.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.624 ' SD ' HD12 ' A' ' 34' ' ' LEU . 79.8 mmm -67.07 -40.68 87.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.64 -47.78 74.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.707 HG22 ' O ' ' A' ' 56' ' ' ASN . 12.9 t -86.49 6.3 31.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -114.44 13.47 20.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -131.5 115.7 16.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 63' ' ' LEU . 4.2 mm? -87.32 -40.73 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -77.84 -16.33 58.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 60.53 53.08 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -112.13 -20.31 11.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.13 23.36 7.74 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -144.4 145.45 31.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.781 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.498 HG23 ' HB3' ' A' ' 73' ' ' GLU . 16.6 mt -119.47 127.82 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.048 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 t -92.09 167.86 11.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.32 -55.05 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -58.72 -40.37 83.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.498 ' HB3' HG23 ' A' ' 69' ' ' ILE . 17.1 mt-10 -56.88 -62.78 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.45 -58.38 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.723 HG23 HD13 ' A' ' 14' ' ' LEU . 80.5 mt -50.62 -45.95 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm -54.87 -44.49 74.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.49 HG23 HD12 ' A' ' 81' ' ' LEU . 1.5 mp -65.78 -33.27 62.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -70.89 -38.52 73.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -84.86 -17.96 36.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -89.47 -84.62 1.31 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.537 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.49 HD12 HG23 ' A' ' 77' ' ' ILE . 42.6 mt -51.88 135.66 29.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.883 0.373 . . . . 0.0 110.95 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -176.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -55.51 100.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -104.05 169.23 8.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.089 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.447 ' H ' HG22 ' A' ' 84' ' ' THR . 3.5 m-20 -75.36 -44.17 46.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.5 m -62.14 -39.15 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.85 -61.44 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.078 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -54.2 -43.78 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.2 m -60.59 -39.49 88.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.629 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 31.8 t80 -64.8 -59.37 4.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.8 ttt85 -50.95 -48.19 61.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -64.53 -60.8 2.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.16 -57.35 6.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.033 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.771 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -55.3 -24.82 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -83.72 -28.88 27.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -67.73 -30.0 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.5 mtp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.74 0.305 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.48 146.42 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.58 143.43 2.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.9 35.33 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.398 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -85.44 -170.05 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 110.902 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.487 HG11 ' SD ' ' A' ' 11' ' ' MET . 8.8 p -165.52 129.64 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 62.0 m -73.75 167.09 22.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -58.95 -56.67 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -56.91 -58.5 7.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.527 ' HG3' HD11 ' A' ' 14' ' ' LEU . 5.6 tp10 -51.71 -51.82 53.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.553 ' HA ' HD12 ' A' ' 14' ' ' LEU . 5.1 tpt -49.7 -63.39 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.25 -54.12 9.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -50.42 -43.47 54.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.718 HD13 HG23 ' A' ' 75' ' ' ILE . 5.4 mt -65.12 -48.38 73.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.438 ' HG2' ' HE2' ' A' ' 11' ' ' MET . 31.5 mmm-85 -51.51 -58.71 5.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.18 -38.44 83.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.91 -43.46 77.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 6.2 m-85 -75.37 -52.94 9.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.68 -25.07 37.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -58.82 -59.71 5.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.5 m -77.69 -22.0 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -69.83 84.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.798 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -54.84 7.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -70.94 -11.17 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.57 55.54 30.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.3 p-10 -97.82 -15.61 20.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.902 0.382 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.61 18.32 62.14 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -134.77 154.97 51.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.795 0.331 . . . . 0.0 110.994 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.4 mt -132.22 116.29 28.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -90.23 -171.6 3.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -74.03 -32.78 63.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.811 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -64.39 -41.5 96.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.2 -56.57 19.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.673 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 19.1 mt -61.22 -49.69 76.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -51.08 -47.21 61.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.59 -29.63 64.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.475 ' HG ' HD12 ' A' ' 94' ' ' ILE . 3.0 tm? -69.28 -45.63 69.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.673 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 7.7 m-85 -75.87 -31.52 59.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.38 -44.45 44.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.99 -24.83 41.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.77 -22.63 37.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.0 m 58.77 48.07 11.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.4 mt -79.67 159.2 72.21 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.525 0.679 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -5.07 15.39 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.61 2.206 . . . . 0.0 112.375 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.454 HD23 ' CG ' ' A' ' 49' ' ' ARG . 8.3 mp -71.8 152.64 93.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.568 0.699 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.2 Cg_endo -69.84 -165.37 0.15 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.3 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.31 -53.29 3.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -52.04 -26.54 11.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.855 0.359 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' CG ' HD23 ' A' ' 45' ' ' LEU . 2.5 tpt180 -64.4 -63.58 1.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.54 HG23 ' HB2' ' A' ' 38' ' ' PHE . 2.8 p -57.42 -38.19 61.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' HA ' HG22 ' A' ' 54' ' ' THR . 27.8 ttp180 -69.93 -29.95 67.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -74.65 -48.65 25.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.5 pt -63.73 -40.31 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 51' ' ' ARG . 12.4 t -71.31 -36.63 71.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.49 -44.35 82.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.72 ' O ' HG22 ' A' ' 60' ' ' THR . 87.0 m-20 -68.91 -47.56 65.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.419 HD13 HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -58.34 -42.59 87.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.604 ' SD ' HD12 ' A' ' 34' ' ' LEU . 78.4 mmm -67.96 -42.1 81.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.69 -55.06 19.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 56' ' ' ASN . 14.5 t -74.93 -6.07 47.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.78 -22.18 19.04 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.505 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -91.44 99.03 12.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.458 HD11 HD11 ' A' ' 77' ' ' ILE . 8.2 mp -80.77 -52.18 7.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.79 -17.02 62.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 63.75 52.32 2.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -102.57 -5.61 23.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.97 -16.81 46.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.537 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.23 178.72 6.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.766 0.317 . . . . 0.0 110.891 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.532 HD11 ' HA ' ' A' ' 58' ' ' MET . 17.1 mt -125.37 132.47 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 p -93.82 166.69 12.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -49.58 -55.57 13.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.06 -42.15 84.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -57.06 -62.79 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.59 -59.06 5.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.718 HG23 HD13 ' A' ' 14' ' ' LEU . 58.6 mt -50.17 -42.57 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -58.02 -45.33 87.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.458 HD11 HD11 ' A' ' 63' ' ' LEU . 1.6 mp -63.18 -34.59 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -69.64 -39.22 77.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -84.62 -15.3 46.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.68 -65.1 1.1 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.459 HD13 ' OG1' ' A' ' 84' ' ' THR . 43.2 mt -51.38 129.01 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.335 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -51.24 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.8 t -153.0 85.8 1.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.459 ' OG1' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -99.46 144.8 28.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.41 -41.55 97.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.1 m -52.5 -33.84 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.39 -57.12 5.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -59.4 -34.67 72.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.5 m -68.55 -43.61 76.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.652 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 22.6 t80 -63.24 -55.53 24.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -54.55 -49.76 69.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -62.62 -55.7 24.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.39 -56.85 14.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.652 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -56.1 -24.84 18.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.122 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.21 -37.27 86.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -56.88 -24.46 51.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.83 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ttt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.779 0.324 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.54 35.78 11.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.078 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -56.98 105.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.6 58.5 0.82 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p -54.37 174.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.663 HG21 HG21 ' A' ' 75' ' ' ILE . 16.9 t -145.74 115.2 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.063 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.1 p -52.73 159.89 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -52.52 -56.23 16.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -56.48 -57.69 11.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' HG2' HG13 ' A' ' 6' ' ' VAL . 1.7 tp10 -50.2 -53.01 30.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -42.99 63.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mtt -68.44 -61.32 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -51.45 -31.47 23.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.706 HD13 HG23 ' A' ' 75' ' ' ILE . 25.8 mt -79.12 -61.01 2.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -51.84 -37.19 50.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 1.4 pp20? -75.5 -37.24 60.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.783 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.629 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -60.62 -36.11 77.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.447 ' HZ ' HD22 ' A' ' 14' ' ' LEU . 3.1 m-85 -75.94 -52.78 9.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.03 -18.6 58.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -64.76 -59.87 3.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.1 m -70.51 -23.03 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -76.18 82.78 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -32.76 74.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 p30 -85.26 -11.1 55.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.61 41.09 99.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 -87.21 -15.81 37.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.97 18.49 72.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -129.44 148.5 51.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.783 0.325 . . . . 0.0 110.969 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.405 HG23 ' HB2' ' A' ' 33' ' ' GLU . 33.0 mt -130.42 121.62 51.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.143 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.8 p -97.59 176.77 5.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -63.17 -25.78 68.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -68.75 -50.1 53.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' HB2' HG23 ' A' ' 29' ' ' ILE . 2.6 mt-10 -64.75 -43.1 94.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 34' ' ' LEU . 13.0 tp -62.25 -62.09 2.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -51.94 -47.93 64.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -62.18 -43.74 98.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' C ' HD13 ' A' ' 37' ' ' LEU . 2.8 tm? -58.49 -38.31 77.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -74.05 -35.82 64.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -40.08 71.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.03 -20.63 58.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.057 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.548 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -56.2 -28.91 60.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.135 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.436 ' C ' HD22 ' A' ' 43' ' ' LEU . 91.9 m 58.42 67.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.548 HD23 ' HB1' ' A' ' 41' ' ' ALA . 4.5 mm? -117.16 159.05 42.8 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.568 0.699 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 76.52 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.306 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.7 mt -150.95 152.99 32.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -169.69 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.676 2.251 . . . . 0.0 112.388 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.47 -45.21 5.9 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -59.74 -31.46 69.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.367 . . . . 0.0 110.945 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -60.65 -63.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.9 p -57.59 -40.08 73.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.403 ' HA ' HG22 ' A' ' 54' ' ' THR . 5.5 tpp180 -66.63 -28.96 68.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -73.99 -52.01 14.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.553 HD12 HG21 ' A' ' 89' ' ' THR . 17.1 pt -59.34 -40.67 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 51' ' ' ARG . 13.9 t -72.4 -35.83 68.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -66.99 -43.29 83.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.687 ' O ' HG22 ' A' ' 60' ' ' THR . 58.1 m-20 -69.92 -47.95 60.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -51.19 69.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -40.13 93.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.18 -41.74 99.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.044 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 56' ' ' ASN . 14.8 t -93.31 6.47 48.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.056 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -109.44 -9.79 24.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -105.32 109.42 21.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 mt -78.84 -53.26 7.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.65 -16.5 62.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.807 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 63.79 47.7 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -104.19 -21.37 13.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.11 23.1 7.87 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.479 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -146.9 136.21 22.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.745 0.307 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.55 HG23 ' HB3' ' A' ' 73' ' ' GLU . 21.5 mt -111.19 128.19 67.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 54.2 p -91.88 166.68 12.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -49.6 -56.57 9.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.57 -40.92 76.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.55 ' HB3' HG23 ' A' ' 69' ' ' ILE . 10.5 mt-10 -56.52 -62.63 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -58.05 9.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.706 HG23 HD13 ' A' ' 14' ' ' LEU . 54.5 mt -50.84 -41.26 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -59.27 -47.7 84.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.513 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -61.9 -32.83 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.467 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.1 m-85 -71.23 -40.24 71.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -83.9 -14.21 51.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -94.04 -85.82 1.63 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.513 HD12 HG23 ' A' ' 77' ' ' ILE . 42.2 mt -51.7 131.73 30.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.07 172.87 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.0 m -51.48 103.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.457 HG22 ' H ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -103.75 173.07 6.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.457 ' H ' HG22 ' A' ' 84' ' ' THR . 1.4 m-20 -77.47 -44.89 27.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 87' ' ' ALA . 20.2 m -59.73 -41.17 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.186 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.405 ' N ' HG23 ' A' ' 86' ' ' VAL . . . -59.02 -50.32 74.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -61.11 -49.27 77.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.553 HG21 HD12 ' A' ' 53' ' ' ILE . 95.3 m -55.48 -38.18 68.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.678 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 27.4 t80 -67.63 -60.65 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.798 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -52.82 -39.53 62.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -71.23 -62.11 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.15 -54.82 21.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.678 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -53.51 -26.53 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -41.86 69.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -53.8 -27.98 32.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.688 0.28 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.13 178.42 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -123.58 123.82 41.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.63 15.6 59.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.535 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 m -85.96 -170.78 3.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.835 0.35 . . . . 0.0 110.854 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.457 HG22 ' HB2' ' A' ' 11' ' ' MET . 9.0 p -166.08 128.06 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.6 t -72.81 168.74 18.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.827 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -59.81 -56.45 21.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -55.74 -57.84 10.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -51.91 61.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.457 ' HB2' HG22 ' A' ' 6' ' ' VAL . 10.3 tpt -51.53 -41.97 61.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.8 mmt -67.36 -60.8 2.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.14 -33.54 27.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.713 HD13 HG23 ' A' ' 75' ' ' ILE . 47.0 mt -76.69 -60.62 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -51.67 -36.56 46.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 17.0 pt-20 -76.15 -35.43 59.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.565 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -61.59 -37.65 84.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -76.37 -50.18 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.52 -16.75 57.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -69.99 -59.91 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -76.83 -11.17 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -60.51 96.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 p -72.78 -60.9 2.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -74.19 -11.34 60.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.59 42.88 97.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.435 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.8 p-10 -87.75 -16.28 34.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.29 1.05 59.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -122.57 171.63 8.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.941 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.8 mt -135.76 134.39 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -103.91 -171.42 1.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -77.1 -36.32 55.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -62.94 -34.4 77.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -68.3 -56.25 9.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.646 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 24.7 mt -60.33 -42.56 95.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -61.39 -50.07 74.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -62.26 -32.22 72.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.766 ' CD1' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -69.09 -62.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.646 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 6.9 m-85 -58.63 -36.12 73.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -70.02 -39.8 75.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.91 -26.97 64.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.118 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HB1' HD13 ' A' ' 43' ' ' LEU . . . -56.19 -27.83 55.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 99.3 m 55.02 54.39 9.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.522 HD13 ' HB1' ' A' ' 41' ' ' ALA . 5.1 mp -84.85 160.56 55.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.534 0.683 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 74.21 1.33 Allowed 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.737 2.291 . . . . 0.0 112.246 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -161.59 159.02 23.04 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.655 0.741 . . . . 0.0 110.952 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 45' ' ' LEU . 53.6 Cg_endo -69.74 -166.95 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.08 -52.23 4.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -49.4 -32.49 11.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -52.06 67.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.2 t -65.42 -48.23 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -24.83 67.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -77.64 -54.48 6.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.8 pt -56.95 -38.46 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 55' ' ' GLU . 14.9 t -73.85 -39.69 63.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.416 ' N ' HG23 ' A' ' 54' ' ' THR . 20.5 mt-10 -66.61 -47.05 73.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.678 ' O ' HG22 ' A' ' 60' ' ' THR . 40.0 m-20 -68.03 -42.38 80.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.404 HD13 ' CG2' ' A' ' 86' ' ' VAL . 26.0 tp -60.84 -43.77 97.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.583 ' SD ' HD12 ' A' ' 34' ' ' LEU . 89.0 mmm -70.83 -36.72 73.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.57 -47.22 67.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.1 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 56' ' ' ASN . 12.6 t -85.11 -1.13 56.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -111.57 17.24 25.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -116.01 112.19 21.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.338 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.507 HD23 ' HG2' ' A' ' 73' ' ' GLU . 4.6 mm? -85.95 -64.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -73.82 -7.79 53.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 53.92 60.74 3.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -114.52 -15.29 12.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.11 4.82 41.29 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -134.2 136.09 43.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.832 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.611 HG23 ' HB3' ' A' ' 73' ' ' GLU . 11.3 mt -107.98 117.2 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.24 171.93 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.827 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -52.12 -54.46 30.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.44 -42.43 78.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.611 ' HB3' HG23 ' A' ' 69' ' ' ILE . 26.0 mt-10 -55.16 -63.08 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.406 ' HZ ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -55.84 -57.44 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.9 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.713 HG23 HD13 ' A' ' 14' ' ' LEU . 40.2 mt -50.67 -39.92 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -60.38 -50.13 74.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.83 -32.33 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.612 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.1 m-85 -71.43 -41.19 69.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.08 -17.69 51.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.35 -58.03 1.32 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.5 mt -103.08 91.83 4.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -89.8 164.07 14.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.974 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 m 63.24 41.77 7.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.01 144.9 34.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.04 -41.93 99.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.404 ' CG2' HD13 ' A' ' 57' ' ' LEU . 30.6 m -66.8 -39.09 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.65 -56.74 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -57.99 -47.61 82.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.5 m -59.67 -39.51 84.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.644 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 32.0 t80 -62.85 -61.0 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.13 -41.27 62.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -67.09 -62.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.54 -56.11 15.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.171 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.766 HD12 ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -52.92 -27.28 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.09 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -80.1 -40.8 26.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -56.42 -38.08 71.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ttm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.758 0.313 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.01 -54.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -55.28 -41.9 72.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.74 163.99 24.71 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -160.21 131.37 5.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.671 HG12 ' HG2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -126.32 125.43 67.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.117 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -55.66 173.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -60.15 -48.17 82.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -61.8 -58.15 9.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.671 ' HG2' HG12 ' A' ' 6' ' ' VAL . 2.0 tp10 -55.12 -50.67 68.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.3 tpt -53.27 -44.44 68.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 22.5 mtp -67.82 -55.23 13.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -55.01 -35.51 64.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.701 HD13 HG23 ' A' ' 75' ' ' ILE . 42.8 mt -76.7 -59.73 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -53.11 -36.66 61.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 8.2 pt-20 -75.09 -35.83 61.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.734 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -62.16 -39.01 91.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.653 ' HA ' HD11 ' A' ' 29' ' ' ILE . 3.1 m-85 -73.91 -51.38 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.22 -20.21 62.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.52 -59.79 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.8 m -68.64 -19.02 23.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -66.1 90.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -46.82 57.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.51 -11.37 59.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.36 62.86 4.3 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.8 p30 -113.03 -15.11 12.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.374 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.65 18.65 67.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.468 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -127.21 152.33 47.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.362 . . . . 0.0 110.901 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.653 HD11 ' HA ' ' A' ' 18' ' ' PHE . 54.4 mt -129.87 118.06 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.36 177.51 5.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -62.01 -25.4 67.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -66.86 -49.33 66.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.09 -43.71 91.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.611 HD11 ' HZ ' ' A' ' 74' ' ' PHE . 1.2 tp -59.77 -55.31 35.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -54.99 40.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.842 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -58.14 -32.97 68.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.781 ' CD2' HD12 ' A' ' 94' ' ' ILE . 5.1 tp -66.42 -43.2 86.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.482 ' HB2' HG23 ' A' ' 50' ' ' VAL . 8.9 m-85 -81.18 -18.85 44.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.17 -39.53 23.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.12 -17.8 63.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.105 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.76 -25.9 43.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 94.8 m 51.87 68.68 0.77 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mp -119.15 158.1 49.19 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.728 ' O ' HD12 ' A' ' 45' ' ' LEU . 53.0 Cg_endo -69.84 72.32 1.49 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.59 2.193 . . . . 0.0 112.34 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 44' ' ' PRO . 1.6 mp -145.13 152.54 51.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.591 0.71 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -169.76 0.35 Allowed 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.42 -47.44 4.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -57.37 -28.93 63.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.83 0.348 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.65 ' HB3' HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.14 -62.78 1.53 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.916 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.482 HG23 ' HB2' ' A' ' 38' ' ' PHE . 4.6 p -58.8 -38.09 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.433 ' HA ' HG22 ' A' ' 54' ' ' THR . 3.4 tpp180 -69.63 -28.2 65.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -75.88 -45.76 33.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.2 pt -65.97 -38.77 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 51' ' ' ARG . 15.1 t -72.83 -39.26 66.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' N ' HG23 ' A' ' 54' ' ' THR . 51.1 mt-10 -66.04 -48.89 69.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.647 ' O ' HG22 ' A' ' 60' ' ' THR . 45.2 m-20 -65.88 -42.27 90.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.531 HD23 HD21 ' A' ' 34' ' ' LEU . 48.8 tp -59.63 -45.4 92.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -41.13 89.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.06 88.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.647 HG22 ' O ' ' A' ' 56' ' ' ASN . 13.1 t -92.72 6.16 48.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -121.73 12.47 9.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.44 114.11 23.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.5 mp -85.68 -63.45 1.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -72.34 -9.29 58.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 52.65 59.68 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -109.79 -12.28 14.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.0 -0.5 41.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.6 136.07 40.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.747 0.308 . . . . 0.0 110.879 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.0 mt -100.99 136.3 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.4 t -99.8 172.9 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -54.46 -54.52 39.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -58.42 -39.85 80.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.409 ' O ' HD13 ' A' ' 77' ' ' ILE . 44.1 mt-10 -55.6 -63.19 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.611 ' HZ ' HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -55.95 -57.01 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.701 HG23 HD13 ' A' ' 14' ' ' LEU . 41.0 mt -50.3 -43.15 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -59.25 -44.49 92.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.449 HG23 HD12 ' A' ' 81' ' ' LEU . 1.7 mp -64.0 -31.67 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CD2' HD21 ' A' ' 14' ' ' LEU . 1.7 m-85 -71.83 -42.26 67.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -85.93 -9.7 56.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -94.91 -68.51 1.03 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.465 HD13 ' OG1' ' A' ' 84' ' ' THR . 63.5 mt -51.42 128.03 21.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.848 0.356 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -51.46 -47.62 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.88 110.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.034 0.445 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.465 ' OG1' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -120.25 147.63 44.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.132 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.14 -43.07 96.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.79 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.5 m -56.84 -34.49 43.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.27 -58.61 7.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.44 -47.65 85.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.2 m -56.15 -34.67 66.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.614 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 21.9 t80 -71.79 -59.43 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -52.03 -32.46 34.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -81.03 -56.78 3.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.544 ' O ' HD11 ' A' ' 37' ' ' LEU . . . -55.94 -26.6 48.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.781 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -85.68 -20.21 8.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.185 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -91.99 18.31 8.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.2 mttt 62.68 16.0 8.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.4 ttm . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.811 0.339 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.83 172.16 18.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -99.99 -73.34 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.71 33.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -85.31 -172.72 4.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.927 0.394 . . . . 0.0 110.822 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 6' ' ' VAL . 4.4 p -168.4 115.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 m -56.72 154.88 8.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.79 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -50.33 -54.85 18.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -56.54 -58.16 9.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.506 ' HG3' HD11 ' A' ' 14' ' ' LEU . 10.9 tp10 -50.08 -53.93 23.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.447 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -48.74 -62.67 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.26 -55.36 5.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -50.83 -43.46 59.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.698 HD13 HG23 ' A' ' 75' ' ' ILE . 5.0 mt -65.19 -48.19 74.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -50.51 -58.66 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -62.67 -35.07 78.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.652 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -56.31 -44.07 79.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.575 ' HA ' HD11 ' A' ' 29' ' ' ILE . 5.0 m-85 -76.8 -42.57 40.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.19 -11.78 59.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -71.59 -59.72 2.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.493 HG11 ' HB2' ' A' ' 37' ' ' LEU . 17.0 m -77.16 -13.08 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.119 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -58.95 97.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.5 p -72.93 -60.91 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -80.1 -11.57 59.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.83 53.62 43.73 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.0 p30 -94.32 -16.23 23.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.13 8.55 55.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.408 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 5.9 m-85 -130.82 159.92 35.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.356 . . . . 0.0 110.916 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.575 HD11 ' HA ' ' A' ' 18' ' ' PHE . 60.8 mt -129.44 125.89 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.064 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.457 ' HA ' ' HE1' ' A' ' 58' ' ' MET . 0.6 OUTLIER -103.92 -171.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.402 ' CZ ' ' ND2' ' A' ' 35' ' ' ASN . 13.0 t80 -70.44 -27.8 64.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -64.22 -54.12 38.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.31 -51.22 68.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.929 HD21 HD23 ' A' ' 57' ' ' LEU . 6.2 tp -53.91 -62.87 1.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.402 ' ND2' ' CZ ' ' A' ' 31' ' ' PHE . 6.5 t-20 -49.6 -49.53 46.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -60.02 -31.71 70.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.514 ' HG ' HD12 ' A' ' 94' ' ' ILE . 2.6 tm? -77.03 -35.09 57.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.575 ' HB3' HG23 ' A' ' 50' ' ' VAL . 14.9 m-30 -79.39 -25.15 42.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.25 -48.02 10.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.9 -24.99 40.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.053 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.75 -23.6 43.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.458 ' C ' HD22 ' A' ' 43' ' ' LEU . 4.3 t 56.65 83.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.458 HD22 ' C ' ' A' ' 42' ' ' CYS . 4.5 mm? -118.87 159.21 45.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.67 19.14 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.64 2.227 . . . . 0.0 112.391 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 mt -72.33 152.71 92.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.625 0.726 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.408 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.6 Cg_endo -69.69 -165.26 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.74 -52.67 3.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -51.91 -26.98 11.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 110.906 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.408 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 2.1 tpt180 -62.85 -63.48 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' A' ' 38' ' ' PHE . 3.0 p -58.82 -37.71 68.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.437 ' HA ' HG22 ' A' ' 54' ' ' THR . 33.1 ttp85 -69.55 -28.64 66.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -75.82 -45.66 34.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.3 pt -66.26 -38.24 81.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.437 HG22 ' HA ' ' A' ' 51' ' ' ARG . 14.6 t -73.7 -38.86 64.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.201 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -65.95 -46.92 76.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.675 ' O ' HG22 ' A' ' 60' ' ' THR . 57.8 m-20 -68.72 -42.74 77.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.929 HD23 HD21 ' A' ' 34' ' ' LEU . 44.5 tp -58.48 -46.04 87.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.558 ' SD ' HD22 ' A' ' 34' ' ' LEU . 85.9 mmm -69.62 -39.29 77.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.07 91.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 56' ' ' ASN . 12.6 t -96.64 6.31 48.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.16 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -120.57 22.71 8.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.527 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.46 114.71 18.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mp -83.12 -64.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -72.98 -11.47 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 57.7 60.24 2.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -108.91 -10.93 15.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.14 -13.2 48.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.527 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.408 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 9.7 mmt85 -120.89 147.6 45.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.793 0.33 . . . . 0.0 110.87 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.7 mt -113.52 121.89 66.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.85 166.2 21.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -51.07 -55.43 17.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.55 -42.75 83.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -54.96 -62.71 1.48 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.43 -60.25 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.698 HG23 HD13 ' A' ' 14' ' ' LEU . 71.7 mt -49.05 -41.21 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -59.71 -45.76 91.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.422 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -66.04 -31.46 53.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.08 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -71.73 -38.66 70.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -89.85 -10.65 44.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.806 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.29 -84.43 1.57 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.452 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.422 HD12 HG23 ' A' ' 77' ' ' ILE . 53.1 mt -51.6 140.01 19.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 0.0 110.932 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -51.72 169.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.5 m -51.68 102.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.21 167.59 9.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.09 -42.76 36.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.527 ' CG2' HD13 ' A' ' 57' ' ' LEU . 19.4 m -57.92 -41.08 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.97 -62.49 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -54.58 -44.39 72.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 83.3 m -60.14 -41.71 93.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.513 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 23.5 t80 -61.73 -61.19 2.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -58.23 -29.59 65.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.91 -51.03 24.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.05 -22.24 63.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.652 HG21 ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -89.19 -20.79 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -91.85 18.76 7.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm 64.03 14.46 8.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.833 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.18 -38.27 6.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.038 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 72.6 mtt-85 -52.8 170.32 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.43 35.18 3.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 p -53.74 173.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.914 0.388 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.633 HG21 HG21 ' A' ' 75' ' ' ILE . 19.4 t -145.44 115.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -51.73 160.31 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -54.84 -56.57 18.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -59.0 -47.71 84.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.479 ' HG3' HD11 ' A' ' 14' ' ' LEU . 15.3 tp10 -56.54 -54.67 43.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.437 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -51.25 -62.31 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -52.21 8.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.59 -52.24 49.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.801 HD13 HG23 ' A' ' 75' ' ' ILE . 3.1 mt -61.25 -44.13 97.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -50.64 -60.48 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -61.57 -34.55 75.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.524 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -57.02 -44.09 82.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 8.0 m-85 -76.22 -43.12 43.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.89 -12.47 60.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.046 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -59.34 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.902 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' A' ' 37' ' ' LEU . 18.3 m -79.17 -6.84 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.43 98.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.7 p -73.01 -60.7 2.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.9 p30 -90.58 -11.3 40.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.34 35.67 76.88 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -76.3 -16.02 59.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.89 -1.66 61.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 10.2 m-85 -118.34 168.87 10.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 110.954 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.5 mt -136.94 121.05 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.8 m -97.96 -171.89 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -67.83 -44.63 76.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -50.77 -51.45 50.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.52 -54.98 40.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.616 HD22 ' HG2' ' A' ' 58' ' ' MET . 0.5 OUTLIER -55.02 -61.56 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.96 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -50.47 -34.53 25.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -73.7 -37.61 65.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.526 ' HG ' HD12 ' A' ' 94' ' ' ILE . 2.9 tm? -69.31 -39.66 78.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.538 ' CB ' HG23 ' A' ' 50' ' ' VAL . 13.9 m-30 -76.83 -35.8 57.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.79 -37.13 62.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.63 3.06 38.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.528 ' O ' HD12 ' A' ' 43' ' ' LEU . . . -60.65 -18.77 55.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 70.3 m 60.33 23.63 13.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -100.52 159.7 28.96 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.561 0.696 . . . . 0.0 110.901 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.744 ' O ' HD22 ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.84 75.26 1.26 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.299 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.744 HD22 ' O ' ' A' ' 44' ' ' PRO . 4.0 mm? -135.14 136.08 24.04 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.668 0.747 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.463 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.0 Cg_endo -69.76 -165.99 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.726 2.284 . . . . 0.0 112.281 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.51 -37.92 5.73 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.572 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -64.51 -35.71 81.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.958 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 6.7 tpt85 -68.2 -58.06 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.538 HG23 ' CB ' ' A' ' 38' ' ' PHE . 6.3 p -56.21 -40.34 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.454 ' HA ' HG22 ' A' ' 54' ' ' THR . 27.4 ttp180 -72.22 -30.45 64.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.04 -42.3 48.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.46 ' HB ' HG12 ' A' ' 86' ' ' VAL . 28.2 pt -69.82 -36.4 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 51' ' ' ARG . 13.3 t -75.36 -37.24 60.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -69.22 -44.85 71.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.682 ' O ' HG22 ' A' ' 60' ' ' THR . 61.1 m-20 -70.49 -45.64 65.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.578 HD23 HD21 ' A' ' 34' ' ' LEU . 18.2 tp -60.69 -43.14 98.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.616 ' HG2' HD22 ' A' ' 34' ' ' LEU . 81.6 mmm -72.07 -35.27 69.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.7 -38.02 73.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 56' ' ' ASN . 11.2 t -98.21 6.41 47.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.159 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.06 10.77 31.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.513 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -123.83 123.77 41.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.58 -60.62 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.7 p30 -82.09 -9.13 59.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 63.09 45.87 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -87.2 -17.88 31.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.1 7.43 38.06 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.449 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.414 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 9.3 mtt-85 -134.91 136.0 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.558 HG23 ' HB3' ' A' ' 73' ' ' GLU . 21.7 mt -108.25 120.76 60.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 m -84.0 166.56 17.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -50.76 -55.27 17.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -57.6 -39.98 78.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.558 ' HB3' HG23 ' A' ' 69' ' ' ILE . 5.0 mt-10 -55.98 -62.66 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.527 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -55.87 -57.42 12.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.801 HG23 HD13 ' A' ' 14' ' ' LEU . 53.7 mt -50.54 -40.18 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -61.21 -52.02 66.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.98 -31.37 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -74.05 -39.1 63.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -83.42 -12.29 56.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -101.4 -56.24 0.88 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 mt -103.42 87.75 2.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.858 0.361 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -94.47 24.48 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.1 m -121.83 24.15 9.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.72 144.51 40.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.132 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.45 -31.77 48.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.578 ' CG2' HD13 ' A' ' 57' ' ' LEU . 13.8 m -59.8 -34.05 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.57 -62.54 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.083 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.29 -44.6 79.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.6 m -61.61 -31.55 71.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.099 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -71.92 -62.41 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -32.23 62.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -75.36 -55.49 5.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.76 -22.55 65.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.526 HD12 ' HG ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -94.19 -25.05 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -63.16 -46.5 86.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.822 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -109.39 6.39 24.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.886 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 mtt . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.771 0.319 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.89 57.42 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.035 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -72.53 -176.73 2.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.12 29.51 3.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -61.71 -170.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.416 HG11 ' SD ' ' A' ' 11' ' ' MET . 7.6 p -163.61 124.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 73.4 m -64.19 166.74 7.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -59.55 -56.01 27.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -56.92 -57.5 12.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.49 -44.98 69.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.416 ' SD ' HG11 ' A' ' 6' ' ' VAL . 9.9 tpt -56.7 -46.04 81.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.0 mtp -68.33 -54.82 14.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.39 -35.19 62.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.723 HD13 HG23 ' A' ' 75' ' ' ILE . 21.0 mt -75.75 -59.11 2.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -53.35 -36.36 61.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -75.89 -31.71 59.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.661 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -66.22 -36.87 84.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.071 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.519 ' HZ ' HD22 ' A' ' 14' ' ' LEU . 2.6 m-85 -76.27 -50.4 14.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.12 -21.54 61.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -60.21 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 m -67.16 -15.98 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -69.4 86.09 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.52 -22.48 61.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -107.58 -11.12 15.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.69 59.83 7.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.485 ' ND2' HH21 ' A' ' 68' ' ' ARG . 13.0 p30 -112.53 2.75 16.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.942 0.401 . . . . 0.0 110.921 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.39 17.69 62.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -127.08 158.53 36.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.376 . . . . 0.0 110.852 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.593 HG23 ' HG3' ' A' ' 33' ' ' GLU . 82.2 mt -136.94 126.19 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.167 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 p -101.24 -171.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -79.39 -24.32 42.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -64.04 -61.21 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.593 ' HG3' HG23 ' A' ' 29' ' ' ILE . 8.5 pt-20 -62.16 -29.85 70.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.424 HD22 ' CE1' ' A' ' 38' ' ' PHE . 6.1 mt -63.28 -62.23 1.83 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.97 -44.62 87.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.15 -42.23 98.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.453 ' C ' HD13 ' A' ' 37' ' ' LEU . 2.7 tm? -63.75 -36.54 84.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.424 ' CE1' HD22 ' A' ' 34' ' ' LEU . 19.0 m-85 -79.46 -27.56 41.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.71 -38.31 33.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.2 -26.04 36.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.93 -28.8 58.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.6 m 50.93 71.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -115.07 159.77 36.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.597 0.713 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.72 77.96 1.02 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.637 2.224 . . . . 0.0 112.404 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -155.92 158.36 31.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.584 0.707 . . . . 0.0 110.933 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -169.54 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.314 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -88.56 -45.96 4.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -51.98 -28.15 15.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.874 0.369 . . . . 0.0 110.904 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.511 ' HB3' HD12 ' A' ' 45' ' ' LEU . 5.9 mmt180 -61.56 -63.12 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.3 p -59.66 -36.0 62.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.43 ' HA ' HG22 ' A' ' 54' ' ' THR . 3.4 ttt180 -70.28 -28.15 64.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -76.69 -44.2 34.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.494 HD12 HG21 ' A' ' 89' ' ' THR . 26.4 pt -67.43 -37.71 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.43 HG22 ' HA ' ' A' ' 51' ' ' ARG . 15.4 t -73.38 -40.41 64.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.201 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.428 ' N ' HG23 ' A' ' 54' ' ' THR . 41.4 mt-10 -67.49 -44.81 77.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.648 ' O ' HG22 ' A' ' 60' ' ' THR . 30.2 m-20 -68.64 -42.37 78.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.53 HD13 ' HB ' ' A' ' 86' ' ' VAL . 43.3 tp -60.78 -44.4 96.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -43.46 81.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.94 -38.34 90.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 56' ' ' ASN . 12.6 t -94.8 5.96 50.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -120.81 17.1 9.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -133.62 98.57 4.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.794 0.33 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.53 -52.73 6.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.82 -18.94 62.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 63.58 38.88 9.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -81.24 -13.77 58.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.09 -9.96 47.12 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.485 HH21 ' ND2' ' A' ' 26' ' ' ASN . 2.1 mmm-85 -133.3 164.33 27.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.755 0.312 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.486 HG23 ' HB3' ' A' ' 73' ' ' GLU . 13.5 mt -114.72 131.26 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.4 p -95.43 164.74 12.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -49.04 -55.02 13.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -57.54 -40.38 78.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.486 ' HB3' HG23 ' A' ' 69' ' ' ILE . 4.9 mt-10 -57.01 -63.46 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.19 -56.91 13.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.933 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.723 HG23 HD13 ' A' ' 14' ' ' LEU . 60.7 mt -51.63 -41.66 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -58.88 -43.71 90.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 81' ' ' LEU . 1.7 mp -68.44 -31.8 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -72.82 -34.35 66.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.34 -19.15 25.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.57 -67.86 1.31 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.499 HD12 HG23 ' A' ' 77' ' ' ILE . 76.5 mt -51.64 125.0 13.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.89 0.376 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.0 ptpm? -51.19 -47.29 62.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.3 t -178.31 109.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.462 ' OG1' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -120.04 146.27 46.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.15 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -57.27 -46.84 82.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.53 ' HB ' HD13 ' A' ' 57' ' ' LEU . 25.1 m -53.45 -38.45 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.01 87.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.49 -49.21 67.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.828 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.494 HG21 HD12 ' A' ' 53' ' ' ILE . 93.7 m -57.44 -36.57 71.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.75 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 32.5 t80 -70.48 -61.15 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -52.14 -33.88 42.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -78.12 -61.45 2.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.5 -52.35 47.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.038 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.75 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -57.14 -25.25 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.166 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -94.13 20.06 8.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt 64.71 14.38 9.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ptt? . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.791 0.329 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.22 115.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.05 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -61.1 171.52 1.27 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.2 72.94 0.47 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.521 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -53.22 172.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.381 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.619 HG21 HG21 ' A' ' 75' ' ' ILE . 13.1 t -145.25 117.08 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.188 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.4 m -51.65 154.06 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -51.27 -51.25 55.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.64 -54.23 42.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' HG2' HG13 ' A' ' 6' ' ' VAL . 2.0 tp10 -52.24 -54.85 25.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -63.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 ttm -45.94 -57.04 4.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.49 -44.01 62.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.723 HD13 HG12 ' A' ' 75' ' ' ILE . 59.9 mt -64.88 -43.4 93.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -54.33 -57.1 12.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.96 -37.91 84.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.535 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -55.59 -45.16 77.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 6.1 m-85 -70.66 -48.25 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.59 -22.56 65.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -59.69 5.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.539 HG11 HD22 ' A' ' 37' ' ' LEU . 16.4 m -76.65 -22.04 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -84.87 73.09 10.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -21.99 65.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.04 -11.05 59.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.26 51.63 58.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.529 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.7 p-10 -108.88 -16.15 14.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.938 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.45 17.94 76.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -123.13 146.98 47.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.4 mt -131.09 111.61 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.17 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.6 m -86.67 -175.03 5.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -72.58 -24.61 61.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -69.43 -46.41 66.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.74 -50.65 72.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.483 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 20.3 mt -61.27 -48.98 78.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -59.61 -54.41 46.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -61.69 -29.92 70.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.774 ' CD2' HD12 ' A' ' 94' ' ' ILE . 6.5 tp -68.27 -43.44 77.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.483 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 6.9 m-85 -82.15 -19.14 40.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -79.46 -48.11 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.49 -13.05 61.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.81 -24.32 35.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.0 m 51.88 69.38 0.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.2 mt -119.44 158.51 48.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.676 0.751 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 75.49 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.692 2.261 . . . . 0.0 112.304 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt -153.71 153.74 29.29 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.628 0.728 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -169.75 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.694 2.263 . . . . 0.0 112.346 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.77 -45.64 5.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -57.8 -32.3 67.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.905 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -63.0 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.07 -36.33 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.409 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -69.07 -29.03 67.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -74.82 -48.13 26.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.448 HD12 HG21 ' A' ' 89' ' ' THR . 19.9 pt -63.49 -40.26 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 51' ' ' ARG . 14.7 t -71.58 -37.87 70.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -69.62 -44.86 69.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.577 ' O ' HG22 ' A' ' 60' ' ' THR . 28.5 m-20 -65.62 -42.78 91.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 tt -63.72 -54.78 30.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.59 ' HA ' HD11 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -59.26 -34.35 72.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.989 179.745 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.49 -43.66 59.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.049 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 56' ' ' ASN . 8.5 t -86.2 6.71 28.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -111.92 -18.53 7.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.83 106.43 18.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 0.0 110.82 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.13 -66.26 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.88 -16.13 61.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 63.87 59.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -93.73 -11.7 30.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.11 11.21 30.33 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.426 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -155.95 145.82 21.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.752 0.31 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.59 HD11 ' HA ' ' A' ' 58' ' ' MET . 28.3 mt -104.42 131.96 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.5 p -95.28 164.83 12.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -49.0 -57.33 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -52.92 -45.91 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -55.49 -62.84 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.01 -60.62 3.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.723 HG12 HD13 ' A' ' 14' ' ' LEU . 66.8 mt -49.28 -43.58 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -57.57 -42.19 82.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.485 HG13 HD11 ' A' ' 81' ' ' LEU . 1.4 mp -66.77 -30.58 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -74.95 -34.28 62.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -91.5 -13.17 32.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -106.77 -61.87 0.59 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.448 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.485 HD11 HG13 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -112.96 75.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.54 -9.24 29.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 m -59.87 -19.77 53.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.992 0.425 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.492 ' HB ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -73.99 155.24 38.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.207 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.42 -32.96 48.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.492 HG22 ' HB ' ' A' ' 84' ' ' THR . 10.4 m -50.98 -32.59 11.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.99 -58.28 9.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -60.18 -44.74 94.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.448 HG21 HD12 ' A' ' 53' ' ' ILE . 95.7 m -56.76 -37.32 70.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.729 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 19.4 t80 -70.15 -56.9 5.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -50.61 -37.58 40.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -78.56 -55.61 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.479 ' O ' HD11 ' A' ' 37' ' ' LEU . . . -54.66 -26.26 32.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.057 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.774 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -89.7 -21.86 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -93.71 20.51 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt 63.22 16.07 9.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.734 0.302 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.8 100.31 9.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -82.28 97.82 8.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.42 -26.18 16.45 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.434 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.2 p -55.44 175.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.637 HG21 HG21 ' A' ' 75' ' ' ILE . 21.0 t -145.42 129.82 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t -66.55 169.7 7.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.34 -56.82 13.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.63 -47.02 88.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -60.14 -53.38 58.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.468 ' HA ' HD12 ' A' ' 14' ' ' LEU . 5.0 tpt -52.15 -62.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.8 mtt -46.37 -54.09 9.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -50.39 -44.75 55.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.772 HD13 HG23 ' A' ' 75' ' ' ILE . 5.8 mt -64.02 -46.6 83.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -52.16 -57.53 9.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -60.77 -36.98 80.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.485 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -57.23 -43.32 82.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 5.7 m-85 -75.64 -42.79 50.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.79 -20.19 66.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.064 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -65.61 -60.15 3.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 m -72.5 -19.34 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -80.17 82.29 6.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.85 -21.01 61.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -103.42 -11.2 18.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.07 63.09 5.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -104.98 4.61 31.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.943 0.401 . . . . 0.0 110.946 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.43 13.06 57.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.527 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -132.53 159.22 40.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.933 0.397 . . . . 0.0 110.891 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.2 mt -136.97 126.89 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -104.22 -171.56 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.46 -22.67 37.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -63.62 -60.91 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.39 -45.59 88.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.782 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 10.8 mt -57.17 -57.47 12.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.421 ' ND2' HG21 ' A' ' 54' ' ' THR . 9.0 t-20 -51.14 -46.65 62.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.4 -35.61 81.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.427 HD22 ' O ' ' A' ' 37' ' ' LEU . 1.8 tm? -65.55 -53.14 46.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.782 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 13.5 m-85 -63.42 -35.35 80.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -25.24 53.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.08 4.9 31.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.064 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.04 -5.45 26.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.8 m 67.11 46.61 1.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.624 HD22 ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -129.3 124.11 21.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.624 ' HD2' HD22 ' A' ' 43' ' ' LEU . 53.4 Cg_endo -69.79 77.23 1.1 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.583 ' HG ' HD12 ' A' ' 43' ' ' LEU . 20.3 mt -87.55 158.88 50.84 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -7.25 20.57 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.251 . . . . 0.0 112.4 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.93 -59.4 1.02 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -58.32 -32.36 68.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.916 0.388 . . . . 0.0 110.906 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -62.35 1.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.843 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.417 ' O ' HG22 ' A' ' 54' ' ' THR . 2.2 p -57.59 -37.41 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.6 OUTLIER -71.28 -27.82 63.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.31 -43.91 39.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.556 HD12 HG21 ' A' ' 89' ' ' THR . 26.4 pt -66.34 -38.7 82.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 55' ' ' GLU . 9.9 t -73.02 -41.59 64.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.431 ' N ' HG23 ' A' ' 54' ' ' THR . 25.2 mt-10 -64.57 -46.86 80.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.646 ' O ' HG22 ' A' ' 60' ' ' THR . 44.0 m-20 -69.04 -39.54 79.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.578 HD11 ' HE2' ' A' ' 74' ' ' PHE . 28.1 tp -59.33 -44.03 92.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.548 ' SD ' HD12 ' A' ' 34' ' ' LEU . 85.5 mmm -77.51 -30.45 52.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.77 -30.61 64.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 56' ' ' ASN . 11.0 t -103.43 -8.19 20.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -99.37 19.33 54.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -137.35 105.66 5.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.826 0.346 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.4 mp -65.36 -58.25 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -74.04 -16.66 61.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 63.63 59.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -100.79 -17.75 16.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.91 17.59 14.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.488 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.6 mtt85 -147.85 146.93 29.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.448 HG23 ' HB3' ' A' ' 73' ' ' GLU . 10.1 mt -117.89 130.48 72.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.1 t -92.87 165.02 13.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -49.25 -54.48 16.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.89 -41.32 86.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.448 ' HB3' HG23 ' A' ' 69' ' ' ILE . 11.7 mt-10 -56.53 -62.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.578 ' HE2' HD11 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -53.81 -60.02 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.772 HG23 HD13 ' A' ' 14' ' ' LEU . 80.5 mt -49.18 -45.35 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -55.03 -49.41 71.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.1 -34.25 56.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -69.76 -39.22 76.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -82.08 -17.68 45.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.5 -66.84 0.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mt -88.81 83.91 6.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.936 0.398 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -92.54 43.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.7 m -151.54 30.28 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.03 144.81 40.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -35.5 66.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.401 ' CG2' HD13 ' A' ' 57' ' ' LEU . 17.9 m -59.88 -32.95 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.67 -45.47 86.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -68.13 -45.38 73.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.556 HG21 HD12 ' A' ' 53' ' ' ILE . 32.9 m -60.04 -39.73 86.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.663 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 32.2 t80 -69.8 -60.51 2.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -35.33 44.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -77.35 -61.29 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.12 -54.2 22.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.054 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.663 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -56.8 -24.61 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -94.14 21.03 7.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt 64.99 14.21 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 ptt? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.839 0.352 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.65 97.73 8.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.034 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.6 ttm-85 -114.82 137.85 51.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.31 38.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -101.22 -172.43 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.863 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.456 HG11 ' SD ' ' A' ' 11' ' ' MET . 7.2 p -169.55 126.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 76.7 p -65.64 168.87 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -63.42 -56.31 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -57.41 -50.22 73.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.76 -50.88 72.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.456 ' SD ' HG11 ' A' ' 6' ' ' VAL . 10.1 tpt -51.17 -48.33 61.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.0 mtt -60.47 -59.4 5.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.803 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -50.63 -31.59 16.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.925 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.71 HD13 HG23 ' A' ' 75' ' ' ILE . 12.6 mt -76.89 -61.55 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -51.74 -36.5 47.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.448 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 16.2 pt-20 -75.73 -35.93 60.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.647 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -63.91 -33.68 76.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -78.49 -51.63 9.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.2 -19.11 62.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -63.8 -59.72 4.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 m -71.07 -22.86 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -59.85 98.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.794 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 p -72.1 -51.19 22.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -80.46 -11.33 59.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.44 58.74 11.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -108.69 -15.33 14.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.43 18.62 54.8 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -126.82 148.52 49.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.876 0.37 . . . . 0.0 110.887 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.573 HG23 ' HB2' ' A' ' 33' ' ' GLU . 27.7 mt -132.59 118.37 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.2 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.411 ' HA ' ' HE1' ' A' ' 58' ' ' MET . 9.7 t -99.05 -172.63 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -65.36 -30.5 71.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -64.39 -53.52 47.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.573 ' HB2' HG23 ' A' ' 29' ' ' ILE . 2.0 mt-10 -59.27 -48.68 80.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.717 HD22 ' HG2' ' A' ' 58' ' ' MET . 0.2 OUTLIER -62.23 -58.22 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -52.31 -45.94 65.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -65.41 -42.9 92.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.451 HD21 ' HA ' ' A' ' 94' ' ' ILE . 2.7 tm? -59.78 -37.81 80.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.542 ' HE1' HD23 ' A' ' 34' ' ' LEU . 17.7 m-85 -77.15 -39.38 49.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -42.24 88.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.05 -24.16 66.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.45 ' CB ' HD23 ' A' ' 43' ' ' LEU . . . -55.78 -31.85 62.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.487 ' C ' HD22 ' A' ' 43' ' ' LEU . 4.0 t 53.77 76.9 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.487 HD22 ' C ' ' A' ' 42' ' ' CYS . 4.5 mm? -119.95 158.89 48.95 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.585 0.707 . . . . 0.0 110.954 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 76.35 1.15 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.707 2.271 . . . . 0.0 112.357 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 45' ' ' LEU . 3.7 pp -155.26 156.65 31.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.692 0.758 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 45' ' ' LEU . 53.0 Cg_endo -69.82 -166.92 0.2 Allowed 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.683 2.255 . . . . 0.0 112.313 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.98 -51.01 3.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.516 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -50.1 -28.01 6.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.89 0.376 . . . . 0.0 110.968 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -63.48 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 p -61.16 -25.64 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.489 ' HA ' HG22 ' A' ' 54' ' ' THR . 22.1 ttp180 -76.64 -33.56 58.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -75.64 -34.86 60.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.466 ' HB ' HG12 ' A' ' 86' ' ' VAL . 18.7 pt -77.14 -36.11 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.208 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.489 HG22 ' HA ' ' A' ' 51' ' ' ARG . 14.5 t -76.31 -36.46 58.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -74.29 -42.37 59.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.651 ' O ' HG22 ' A' ' 60' ' ' THR . 7.4 m-20 -70.44 -40.71 73.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.682 HD23 HD21 ' A' ' 34' ' ' LEU . 19.6 tp -67.44 -48.74 66.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.717 ' HG2' HD22 ' A' ' 34' ' ' LEU . 81.9 mmm -65.15 -37.41 87.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.86 -46.87 76.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 56' ' ' ASN . 12.2 t -88.01 6.3 36.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -103.76 -18.27 14.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -111.1 112.52 24.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.22 -42.24 55.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.26 -18.57 52.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 63.58 43.7 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -92.7 -20.4 20.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.93 21.68 8.86 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -149.39 136.1 19.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.326 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.544 HG23 ' HB3' ' A' ' 73' ' ' GLU . 30.4 mt -108.88 127.94 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.182 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.6 p -92.21 166.33 12.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -49.88 -55.69 13.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -58.44 -39.08 78.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.544 ' HB3' HG23 ' A' ' 69' ' ' ILE . 5.7 mt-10 -57.0 -62.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.668 ' HZ ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -54.21 -58.07 8.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.809 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.71 HG23 HD13 ' A' ' 14' ' ' LEU . 80.9 mt -50.32 -45.94 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -54.63 -48.17 72.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.565 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -62.78 -32.63 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -71.59 -40.13 70.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -83.13 -15.45 50.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.65 -70.88 1.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.565 HD12 HG23 ' A' ' 77' ' ' ILE . 81.3 mt -51.92 153.77 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -80.06 62.11 4.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 p 46.16 70.62 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.1 m -68.92 160.31 31.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.197 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -53.87 -48.25 70.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.481 ' CG2' HD13 ' A' ' 57' ' ' LEU . 22.4 m -55.92 -38.98 54.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.88 -51.53 69.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.069 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -60.53 -47.36 86.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.0 m -59.45 -34.97 73.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.69 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 29.9 t80 -68.58 -60.89 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -52.42 -39.72 61.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -71.38 -63.06 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.27 -55.16 16.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.078 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.69 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -53.31 -26.4 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -83.77 -31.27 26.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -56.49 -24.56 46.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.743 0.306 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.45 85.34 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -123.17 151.14 42.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.65 -19.48 77.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.0 m -60.34 -175.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.389 . . . . 0.0 110.824 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 6' ' ' VAL . 5.2 p -157.59 118.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -55.29 164.63 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -59.29 -56.44 22.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.05 -44.27 94.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -60.5 -50.88 71.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -43.49 77.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.1 mmt -67.39 -55.0 15.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -56.81 -34.12 67.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.738 HD13 HG23 ' A' ' 75' ' ' ILE . 38.1 mt -76.3 -59.07 2.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -51.93 -36.67 50.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 13.9 pt-20 -76.0 -34.34 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.619 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -62.55 -38.28 89.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.529 ' HA ' HD11 ' A' ' 29' ' ' ILE . 3.0 m-85 -75.82 -50.07 16.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.37 -17.2 58.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -68.57 -60.03 2.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.456 HG11 HD22 ' A' ' 37' ' ' LEU . 15.5 m -75.31 -12.86 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.22 97.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.2 p -72.81 -60.71 2.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -74.41 -11.27 60.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.88 36.8 93.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.386 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -82.35 -16.17 50.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.16 5.21 64.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.448 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -122.18 169.41 10.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 110.936 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.529 HD11 ' HA ' ' A' ' 18' ' ' PHE . 49.7 mt -135.5 126.79 45.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -98.68 -171.9 2.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -75.16 -28.3 60.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -66.36 -48.5 70.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.24 -53.47 57.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.622 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 33.7 mt -57.08 -51.53 68.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.956 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.13 -52.66 64.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.96 -29.55 69.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.794 ' CD2' HD12 ' A' ' 94' ' ' ILE . 4.1 tp -70.53 -62.39 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.622 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 5.9 m-85 -57.87 -29.61 65.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -33.49 40.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.7 -21.51 64.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.11 -24.18 38.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.3 m 56.81 24.9 9.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.947 HD11 HD12 ' A' ' 45' ' ' LEU . 1.6 pt? -71.98 154.09 92.63 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.644 0.735 . . . . 0.0 110.929 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 82.01 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.947 HD12 HD11 ' A' ' 43' ' ' LEU . 24.1 mt -154.03 157.23 32.45 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.577 0.703 . . . . 0.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.443 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 52.9 Cg_endo -69.86 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.98 -39.36 3.83 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -57.89 -32.67 67.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.949 0.404 . . . . 0.0 110.983 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.443 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 7.8 tpt180 -65.26 -63.3 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.566 HG23 ' HB2' ' A' ' 38' ' ' PHE . 3.4 p -53.07 -38.69 30.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.441 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -71.02 -29.46 65.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.64 -43.5 47.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.548 HD12 HG21 ' A' ' 89' ' ' THR . 27.6 pt -67.86 -38.33 79.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.441 HG22 ' HA ' ' A' ' 51' ' ' ARG . 14.7 t -73.64 -40.26 63.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.426 ' N ' HG23 ' A' ' 54' ' ' THR . 67.7 mt-10 -66.44 -48.44 69.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.687 ' O ' HG22 ' A' ' 60' ' ' THR . 73.3 m-20 -66.25 -43.17 87.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.414 HD23 HD13 ' A' ' 34' ' ' LEU . 68.3 tp -58.7 -45.62 89.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -40.67 87.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.65 -44.13 87.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 56' ' ' ASN . 14.5 t -89.58 6.4 41.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -116.96 18.75 12.35 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.6 130.12 51.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.747 HD23 ' HG2' ' A' ' 73' ' ' GLU . 4.6 mm? -86.48 -56.96 3.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -102.02 -0.95 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 63.71 33.78 12.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -18.08 62.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.23 -3.22 40.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.22 144.24 40.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.584 HG23 ' HB3' ' A' ' 73' ' ' GLU . 15.7 mt -107.21 119.51 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.27 171.64 13.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.69 -54.78 33.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -55.92 -41.71 74.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.747 ' HG2' HD23 ' A' ' 63' ' ' LEU . 24.3 mt-10 -55.43 -63.32 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.22 -56.36 21.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.738 HG23 HD13 ' A' ' 14' ' ' LEU . 47.2 mt -51.4 -38.73 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.19 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -61.99 -46.84 87.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.495 HG23 HD12 ' A' ' 81' ' ' LEU . 1.7 mp -64.0 -31.52 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -72.63 -40.0 66.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.58 -16.39 45.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -90.91 -84.33 1.41 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.572 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.495 HD12 HG23 ' A' ' 77' ' ' ILE . 43.1 mt -52.73 134.47 36.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -59.89 -173.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.2 m -51.62 103.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.89 169.95 8.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.76 -43.06 31.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.51 -37.25 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.134 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.1 -49.92 74.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -65.36 -46.08 81.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.548 HG21 HD12 ' A' ' 53' ' ' ILE . 93.1 m -59.25 -37.12 76.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.741 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 29.7 t80 -70.43 -60.61 2.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -51.88 -35.49 45.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -76.6 -62.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.56 -52.0 42.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.794 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -57.04 -25.42 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -93.33 19.88 7.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt 65.27 14.46 9.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.83 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.79 151.58 51.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 -66.86 172.87 3.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.68 -26.71 1.89 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 67.16 128.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.885 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.443 HG11 ' HG2' ' A' ' 11' ' ' MET . 4.1 p -178.67 119.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.4 m -58.7 159.61 6.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -50.38 -57.23 8.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -55.25 -58.61 7.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -49.17 -50.59 37.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.443 ' HG2' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -50.9 -63.03 1.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.58 -52.64 6.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -52.12 -56.98 11.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.762 HD23 HG23 ' A' ' 75' ' ' ILE . 2.1 mp -56.66 -42.74 79.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -62.66 1.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.8 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.39 -32.52 68.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -59.05 -43.62 91.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.78 -44.05 51.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.02 -16.77 64.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -65.55 -59.33 4.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.0 m -75.18 -23.51 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -76.19 88.29 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -46.87 77.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -75.4 -11.17 59.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.12 57.96 16.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -102.73 -14.85 16.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.363 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.51 18.4 58.73 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -127.22 150.1 49.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.357 . . . . 0.0 110.977 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.2 mt -136.1 119.8 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.1 t -97.09 -171.39 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -71.76 -28.82 63.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -69.39 -48.72 60.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.45 -56.72 14.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.803 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 14.7 mt -60.71 -52.69 64.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -50.89 -45.08 60.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -69.47 -37.22 77.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.431 HD22 ' O ' ' A' ' 37' ' ' LEU . 1.8 tm? -64.6 -53.27 50.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.803 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 15.7 m-85 -62.33 -44.36 96.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.965 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -28.82 68.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.2 -26.21 65.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.01 -24.73 40.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 95.8 m 51.58 55.04 9.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.495 HD21 ' HZ1' ' A' ' 97' ' ' LYS . 1.1 mt -100.02 159.32 30.17 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.689 0.757 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.44 ' HD2' HD23 ' A' ' 43' ' ' LEU . 53.5 Cg_endo -69.81 76.27 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 mt -148.07 155.34 43.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.662 0.744 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -168.1 0.26 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -88.84 -48.84 3.76 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -55.62 -30.0 60.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.957 0.408 . . . . 0.0 110.95 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -63.48 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.2 p -58.53 -37.21 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -68.64 -28.62 67.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.52 -47.66 25.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.7 pt -63.67 -38.51 82.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.411 HG22 ' HA ' ' A' ' 51' ' ' ARG . 15.0 t -73.97 -38.19 64.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -68.33 -47.3 67.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.696 ' O ' HG22 ' A' ' 60' ' ' THR . 56.0 m-20 -67.71 -43.84 79.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.417 HD13 ' CG2' ' A' ' 86' ' ' VAL . 27.7 tp -59.91 -45.15 93.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.626 ' SD ' HD12 ' A' ' 34' ' ' LEU . 88.0 mmm -68.46 -38.07 80.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.89 -44.55 76.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.696 HG22 ' O ' ' A' ' 56' ' ' ASN . 13.5 t -90.24 6.42 42.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -109.12 -19.98 8.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.87 107.27 19.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.805 0.336 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 mt -76.29 -59.29 2.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.69 -18.37 62.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 63.62 53.37 2.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -100.29 -11.81 20.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.86 4.03 42.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.466 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.62 144.14 31.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.757 0.313 . . . . 0.0 110.849 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.3 mt -104.52 133.76 47.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 p -96.27 166.71 11.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -50.91 -53.38 33.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -58.31 -41.42 84.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -57.24 -61.89 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.506 ' HZ ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -53.76 -57.4 11.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.762 HG23 HD23 ' A' ' 14' ' ' LEU . 35.0 mt -52.26 -40.49 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -60.66 -45.03 95.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.474 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -64.9 -32.98 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -70.65 -39.17 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -86.08 -14.97 42.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.46 -84.14 1.45 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.455 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.474 HD12 HG23 ' A' ' 77' ' ' ILE . 36.3 mt -53.95 134.1 43.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.834 0.349 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -55.85 178.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.3 m -51.64 103.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -106.88 171.18 7.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.447 ' H ' HG22 ' A' ' 84' ' ' THR . 0.9 OUTLIER -74.24 -45.77 45.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.417 ' CG2' HD13 ' A' ' 57' ' ' LEU . 21.0 m -59.48 -39.5 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.97 -56.05 17.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -57.26 -51.61 68.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.2 m -56.18 -41.58 75.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.753 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 33.5 t80 -60.29 -58.6 7.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.09 -53.79 30.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -61.33 2.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.53 -57.5 6.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.052 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.753 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -58.61 -20.4 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.12 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -89.07 14.97 9.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm 63.16 16.16 9.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.495 ' HZ1' HD21 ' A' ' 43' ' ' LEU . 13.2 mmmm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.1 mtp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.42 166.66 10.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.146 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 55.71 27.45 10.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.13 132.51 50.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -62.54 -170.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.911 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 6' ' ' VAL . 5.7 p -168.36 120.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.074 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.7 t -58.11 171.41 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -67.15 -56.44 9.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -55.16 -45.0 75.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -68.08 -43.53 78.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.9 tpt -55.53 -42.25 74.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.3 -50.82 17.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.61 -37.11 67.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.753 HD13 HG23 ' A' ' 75' ' ' ILE . 33.3 mt -76.54 -60.64 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -51.26 -37.61 48.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 15.9 pt-20 -75.33 -35.17 61.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.85 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -62.22 -38.03 87.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.432 ' HZ ' HD22 ' A' ' 14' ' ' LEU . 3.5 m-85 -74.8 -51.75 13.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.07 -22.5 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -55.57 27.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.661 ' CG2' HD11 ' A' ' 94' ' ' ILE . 2.7 t -78.3 -10.34 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -65.09 89.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.0 p -73.65 -60.41 2.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -68.84 -11.67 60.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.09 56.49 17.96 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.435 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -107.38 -16.2 14.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.88 3.26 73.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -120.34 168.75 10.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.962 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.3 mt -135.39 135.48 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 m -104.4 -171.23 1.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -75.47 -33.1 60.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -65.42 -51.1 62.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -51.5 -56.22 14.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.778 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 15.0 mt -57.95 -50.16 74.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -51.99 -36.25 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -76.76 -38.72 53.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' C ' HD13 ' A' ' 37' ' ' LEU . 3.1 tm? -65.78 -36.76 84.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.778 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 20.1 m-85 -80.95 -43.62 19.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -37.44 85.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.05 3.45 48.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.06 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.69 -13.81 60.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.8 m 64.2 55.32 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.821 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.5 tp -121.45 137.25 26.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.698 ' O ' HD12 ' A' ' 45' ' ' LEU . 53.7 Cg_endo -69.71 77.21 1.07 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.301 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 44' ' ' PRO . 3.1 mp -140.63 156.51 69.13 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.598 0.713 . . . . 0.0 110.949 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.47 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.237 . . . . 0.0 112.339 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.75 -43.43 6.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.447 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -60.61 -29.37 69.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.858 0.361 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.628 ' HB3' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -62.74 -62.62 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.509 HG23 ' CB ' ' A' ' 38' ' ' PHE . 7.2 p -59.88 -37.89 73.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.075 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.44 ' HA ' HG22 ' A' ' 54' ' ' THR . 2.5 ttt180 -69.79 -28.12 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -76.26 -44.97 34.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.9 pt -66.74 -37.85 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.44 HG22 ' HA ' ' A' ' 51' ' ' ARG . 14.6 t -74.05 -38.42 63.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -67.49 -45.45 75.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.673 ' O ' HG22 ' A' ' 60' ' ' THR . 65.4 m-20 -70.37 -41.95 72.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.527 HD11 ' HE2' ' A' ' 74' ' ' PHE . 21.4 tp -61.7 -41.23 97.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.594 ' SD ' HD12 ' A' ' 34' ' ' LEU . 87.4 mmm -75.24 -34.52 61.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.821 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.51 -43.13 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 56' ' ' ASN . 9.0 t -90.23 -7.1 54.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -102.38 15.71 55.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.454 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -130.91 107.07 8.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mt -76.47 -53.04 8.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -69.95 -18.31 63.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 62.52 51.91 3.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.96 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -109.44 -18.76 13.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.85 23.22 7.92 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.52 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -144.35 136.12 25.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.798 0.332 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.412 HG23 ' HB3' ' A' ' 73' ' ' GLU . 12.3 mt -110.33 123.99 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -88.03 163.27 16.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.08 -51.47 42.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.62 -40.85 88.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' HB3' HG23 ' A' ' 69' ' ' ILE . 4.6 mt-10 -55.43 -63.15 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.527 ' HE2' HD11 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -54.53 -56.81 15.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.753 HG23 HD13 ' A' ' 14' ' ' LEU . 48.8 mt -52.0 -38.64 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -61.99 -41.83 98.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.614 HG13 HD12 ' A' ' 81' ' ' LEU . 1.7 mp -69.58 -32.58 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -71.09 -40.14 71.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.39 -21.17 30.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -100.2 -77.28 1.28 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.614 HD12 HG13 ' A' ' 77' ' ' ILE . 10.5 mt -77.46 77.95 3.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.915 0.388 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -86.19 179.2 6.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.19 29.62 15.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.51 144.91 30.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.127 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.0 -36.95 75.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 87' ' ' ALA . 30.5 m -68.74 -42.31 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.437 ' N ' HG23 ' A' ' 86' ' ' VAL . . . -61.72 -51.01 70.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -62.59 -51.04 68.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.8 m -59.64 -29.93 68.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.597 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 28.6 t80 -71.9 -61.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 ptt85 -60.01 -24.56 64.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -83.24 -54.59 4.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.57 -54.21 39.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.85 HG21 ' HB1' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -56.69 -23.69 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -68.74 -46.84 67.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -53.68 -40.51 66.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.814 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.784 0.325 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.32 124.77 50.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.57 48.59 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.55 34.35 55.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.431 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.4 m -83.93 174.78 10.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.87 0.367 . . . . 0.0 110.909 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.491 HG21 HG21 ' A' ' 75' ' ' ILE . 11.0 t -144.11 128.65 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 t -69.71 167.63 16.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.68 -56.38 22.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -60.46 -55.88 28.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' HG3' HD11 ' A' ' 14' ' ' LEU . 48.3 tp10 -51.77 -53.41 40.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.466 ' HA ' HD12 ' A' ' 14' ' ' LEU . 8.4 tpt -51.95 -63.27 1.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.815 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.46 -54.26 7.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.84 -45.86 59.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.83 HD13 HG23 ' A' ' 75' ' ' ILE . 6.6 mt -61.91 -47.99 82.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.13 -60.81 2.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -57.62 -36.36 71.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.421 ' HB1' ' CE2' ' A' ' 90' ' ' PHE . . . -58.05 -43.61 86.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.408 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 5.7 m-85 -75.45 -49.19 19.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.18 -25.23 45.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -61.35 -59.45 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.0 m -77.01 -18.63 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.16 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -71.43 82.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -72.64 -52.43 15.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.06 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -69.7 -11.42 60.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.68 56.05 26.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.514 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -111.07 -14.14 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.37 18.39 71.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -123.22 148.25 46.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.903 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.617 HG21 HD13 ' A' ' 34' ' ' LEU . 66.3 mt -131.13 120.22 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.07 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.443 ' HA ' ' HE1' ' A' ' 58' ' ' MET . 10.2 m -101.5 -171.61 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -71.9 -24.2 61.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -68.5 -49.27 60.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.19 -53.74 53.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.617 HD13 HG21 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -57.45 -51.54 69.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -53.52 57.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -57.64 -30.17 65.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.758 ' CD2' HD12 ' A' ' 94' ' ' ILE . 4.8 tp -71.59 -62.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.444 ' HB2' HG23 ' A' ' 50' ' ' VAL . 7.5 m-85 -62.09 -21.13 64.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.819 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.47 -42.04 15.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.8 -25.36 60.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.75 -23.31 41.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 98.1 m 58.75 82.36 0.14 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.448 HD11 ' HD3' ' A' ' 97' ' ' LYS . 4.6 mp -111.14 159.86 31.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.657 0.741 . . . . 0.0 110.92 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -8.25 23.12 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.337 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mp -73.12 154.34 90.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.648 0.737 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -167.82 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.15 -47.38 6.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -58.71 -31.05 67.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.929 0.395 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -62.42 1.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' A' ' 38' ' ' PHE . 4.0 p -57.37 -39.15 66.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.413 ' HA ' HG22 ' A' ' 54' ' ' THR . 1.0 OUTLIER -68.77 -28.61 66.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.22 -47.66 27.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.545 HD12 HG21 ' A' ' 89' ' ' THR . 22.2 pt -63.72 -39.59 85.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.413 HG22 ' HA ' ' A' ' 51' ' ' ARG . 14.9 t -72.67 -37.84 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -67.65 -49.55 62.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.663 ' O ' HG22 ' A' ' 60' ' ' THR . 46.5 m-20 -66.21 -42.58 88.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.446 HD22 ' HB ' ' A' ' 86' ' ' VAL . 14.5 tp -60.06 -45.5 92.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.575 ' SD ' HD22 ' A' ' 34' ' ' LEU . 85.5 mmm -66.02 -41.53 90.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.89 -44.88 88.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 56' ' ' ASN . 14.4 t -87.01 5.33 37.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.185 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -111.38 -9.01 22.48 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.92 122.3 47.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.5 mt -87.02 -38.75 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -90.68 -10.94 41.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 62.86 20.22 12.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.008 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -68.37 -22.71 64.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.96 17.36 14.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.8 mtp85 -143.92 136.32 26.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.359 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.539 HG23 ' HB3' ' A' ' 73' ' ' GLU . 20.2 mt -108.28 131.86 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.2 t -94.58 166.17 12.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.817 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -49.12 -56.5 8.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.806 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -56.7 -42.06 78.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.539 ' HB3' HG23 ' A' ' 69' ' ' ILE . 9.4 mt-10 -55.78 -63.89 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.66 -59.12 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.83 HG23 HD13 ' A' ' 14' ' ' LEU . 80.1 mt -48.61 -48.46 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HA ' ' CE1' ' A' ' 79' ' ' HIS . 11.5 mmtp -57.43 -38.73 74.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 73' ' ' GLU . 1.6 mp -71.94 -22.31 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -79.36 -43.67 23.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.619 ' CD2' HG22 ' A' ' 75' ' ' ILE . 21.9 p80 -107.56 16.04 24.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -109.97 -15.21 12.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 mp -137.39 156.35 48.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.881 0.372 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -51.71 160.61 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.2 p -52.02 103.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.53 144.73 27.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -51.9 -48.53 64.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.446 ' HB ' HD22 ' A' ' 57' ' ' LEU . 14.2 m -52.83 -43.86 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.413 ' N ' HG23 ' A' ' 86' ' ' VAL . . . -59.81 -56.2 24.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.019 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -54.98 -44.97 74.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.545 HG21 HD12 ' A' ' 53' ' ' ILE . 52.7 m -58.95 -42.07 88.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.688 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 32.7 t80 -62.23 -57.84 9.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.8 -51.45 50.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.898 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.93 -60.93 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -48.57 -57.41 6.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.758 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -56.6 -24.32 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -93.67 23.35 4.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt 59.49 18.51 6.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.448 ' HD3' HD11 ' A' ' 43' ' ' LEU . 21.6 mtmt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.866 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ptt? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.75 0.309 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.72 -175.38 3.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.112 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -170.36 127.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.89 -14.55 80.04 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 p -53.7 173.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.641 HG21 HG21 ' A' ' 75' ' ' ILE . 17.4 t -145.34 115.86 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.129 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.1 t -52.07 165.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -59.95 -56.41 22.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.97 -43.01 91.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.82 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.48 ' HG2' HG13 ' A' ' 6' ' ' VAL . 1.7 tp10 -62.71 -51.28 67.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -43.12 69.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.4 mtp -68.46 -60.83 2.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.78 -31.52 27.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.71 HD13 HG23 ' A' ' 75' ' ' ILE . 29.0 mt -79.21 -60.92 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -51.65 -37.4 50.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 1.6 pp20? -75.43 -37.66 60.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.62 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -59.73 -36.51 76.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.166 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -75.93 -51.92 11.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.812 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.14 -21.17 64.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -59.78 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.2 m -70.27 -22.13 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -64.77 93.14 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.2 p -71.04 -39.63 72.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.255 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -87.98 -11.16 48.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.91 59.75 9.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.553 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -108.1 -15.18 14.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.19 18.54 62.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -126.64 154.78 43.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.849 0.357 . . . . 0.0 110.917 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.8 mt -136.87 126.63 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 p -104.0 -171.62 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -72.26 -27.25 62.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -68.79 -52.22 32.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -51.88 -56.8 11.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.713 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 21.0 mt -59.63 -48.44 81.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -52.7 -51.18 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.75 -30.52 71.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.848 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.789 ' CD2' HD12 ' A' ' 94' ' ' ILE . 4.4 tp -68.34 -61.52 1.81 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.713 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 7.5 m-85 -59.47 -35.85 74.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.005 0.431 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -34.75 69.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.71 65.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.178 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.48 -21.24 51.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.1 m 53.09 84.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -118.69 159.28 44.82 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.62 0.724 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -5.48 16.27 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.729 2.286 . . . . 0.0 112.334 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.493 HD13 ' HB3' ' A' ' 49' ' ' ARG . 3.9 pp -71.38 155.68 92.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.609 0.718 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -170.6 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.65 2.233 . . . . 0.0 112.327 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.72 -49.63 5.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.459 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -52.07 -29.75 22.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.33 . . . . 0.0 110.892 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.493 ' HB3' HD13 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -60.5 -63.63 1.23 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -58.28 -36.01 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.409 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.4 OUTLIER -69.38 -29.26 66.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -75.52 -47.2 27.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.0 pt -64.61 -38.91 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 51' ' ' ARG . 14.3 t -72.72 -37.49 67.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.068 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.92 -41.42 87.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.691 ' O ' HG22 ' A' ' 60' ' ' THR . 55.0 m-20 -70.62 -45.16 65.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.432 HD13 HD13 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -59.29 -46.91 87.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.603 ' SD ' HD12 ' A' ' 34' ' ' LEU . 84.5 mmm -68.61 -38.83 80.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.27 87.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.691 HG22 ' O ' ' A' ' 56' ' ' ASN . 12.7 t -90.13 6.25 43.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -106.26 -20.51 9.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.44 108.65 20.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.373 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.91 -40.95 62.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.51 -6.94 23.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.89 51.5 2.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.2 15.62 28.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.79 19.36 65.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.447 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.85 138.33 21.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.0 mt -114.24 129.87 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.4 t -93.94 168.48 10.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.807 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.1 -55.61 14.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -56.46 -43.12 79.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -56.21 -63.06 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -59.16 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.71 HG23 HD13 ' A' ' 14' ' ' LEU . 57.0 mt -50.21 -42.87 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -58.22 -42.62 86.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.617 HG23 HD12 ' A' ' 81' ' ' LEU . 1.5 mp -65.71 -33.95 67.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.476 ' CD1' HD21 ' A' ' 14' ' ' LEU . 2.0 m-85 -69.78 -39.14 76.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -86.24 -15.41 40.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.797 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.65 -84.82 1.59 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.456 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.617 HD12 HG23 ' A' ' 77' ' ' ILE . 42.4 mt -51.03 155.09 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.932 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -60.38 -169.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.7 m -79.55 57.07 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.602 ' OG1' HG22 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -51.71 159.21 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.84 -32.16 73.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.602 HG22 ' OG1' ' A' ' 84' ' ' THR . 28.4 m -66.25 -36.44 77.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.16 -53.87 38.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -46.41 88.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 95.6 m -59.54 -38.79 81.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.706 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 30.3 t80 -64.01 -60.13 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -52.02 -41.06 61.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -68.55 -62.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.57 -55.43 16.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.789 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -54.25 -26.46 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -81.83 -37.14 27.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -67.31 -31.56 71.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ptt? . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.772 0.32 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.11 106.26 6.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -53.34 107.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.9 35.24 4.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -56.4 177.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.563 HG21 HG21 ' A' ' 75' ' ' ILE . 17.3 t -144.61 129.73 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.7 m -72.08 166.05 23.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.48 -56.57 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -59.16 -57.55 12.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -50.87 -54.15 26.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.427 ' HB2' HG12 ' A' ' 6' ' ' VAL . 2.5 tpt -50.4 -62.39 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -43.12 -53.52 4.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -56.14 14.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.879 HD23 HG23 ' A' ' 75' ' ' ILE . 1.1 mp -56.39 -42.84 78.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -54.25 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.929 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -56.63 -35.23 68.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.506 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -58.22 -43.8 87.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 6.8 m-85 -72.31 -43.33 64.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.35 -16.95 64.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.99 -59.51 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.437 HG12 HD23 ' A' ' 37' ' ' LEU . 14.8 m -74.65 -25.43 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.08 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.44 93.06 0.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.3 t -72.8 -34.79 67.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.177 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -94.29 -11.58 29.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.34 62.45 6.0 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -112.67 7.16 18.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.78 18.8 66.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.449 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -124.64 150.24 46.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.2 mt -136.68 118.88 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.144 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.7 p -96.48 -171.63 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -72.7 -26.33 61.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -68.75 -51.63 39.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.23 -56.56 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.652 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 22.3 mt -59.98 -49.04 79.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.04 -45.86 61.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.15 -29.15 62.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.548 HD13 ' O ' ' A' ' 37' ' ' LEU . 2.7 tm? -68.38 -43.28 77.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.652 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 6.6 m-85 -81.02 -31.54 34.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -54.26 8.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.6 -22.47 56.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.055 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.39 -22.31 41.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.504 ' C ' HD22 ' A' ' 43' ' ' LEU . 24.0 m 56.77 85.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.504 HD22 ' C ' ' A' ' 42' ' ' CYS . 4.5 mm? -120.88 158.94 50.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.695 0.759 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.39 16.08 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.725 2.284 . . . . 0.0 112.365 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.03 151.6 92.75 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.661 0.743 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -168.15 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.712 2.274 . . . . 0.0 112.315 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.5 -49.58 5.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -56.49 -29.92 62.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.925 0.393 . . . . 0.0 110.981 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -62.64 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.479 HG23 ' HB2' ' A' ' 38' ' ' PHE . 3.8 p -58.25 -37.38 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.6 OUTLIER -69.5 -28.46 66.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.0 -45.42 34.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 pt -66.19 -38.08 81.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.427 HG22 ' HA ' ' A' ' 51' ' ' ARG . 14.2 t -73.48 -37.52 65.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -67.03 -47.89 70.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.668 ' O ' HG22 ' A' ' 60' ' ' THR . 62.8 m-20 -68.61 -42.49 78.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.413 HD13 ' CG2' ' A' ' 86' ' ' VAL . 25.5 tp -59.41 -45.34 91.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.57 ' SD ' HD12 ' A' ' 34' ' ' LEU . 83.0 mmm -71.02 -35.86 72.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.14 -37.37 78.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 56' ' ' ASN . 11.6 t -98.87 6.34 46.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.195 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.64 -26.37 7.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -102.15 112.02 24.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.42 HD13 ' HG2' ' A' ' 73' ' ' GLU . 7.5 mp -75.63 -43.99 45.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -85.64 -16.97 37.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 58.5 60.44 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -99.3 -5.11 30.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.09 4.31 38.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.41 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.48 159.61 41.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.331 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.6 mt -112.69 136.1 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.1 t -94.39 161.37 14.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -48.39 -54.0 15.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -54.95 -43.6 73.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' HG2' HD13 ' A' ' 63' ' ' LEU . 2.6 mt-10 -57.34 -63.25 1.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.95 -58.3 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.879 HG23 HD23 ' A' ' 14' ' ' LEU . 54.5 mt -50.79 -44.8 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -55.99 -45.19 79.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.565 HG23 HD13 ' A' ' 81' ' ' LEU . 1.6 mp -63.75 -36.51 76.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.73 -25.49 61.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.87 -11.29 24.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -105.08 -57.95 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.457 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.565 HD13 HG23 ' A' ' 77' ' ' ILE . 6.5 mp -73.87 126.89 31.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -60.44 -168.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.3 t -55.52 99.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -108.66 171.18 7.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.433 ' H ' HG22 ' A' ' 84' ' ' THR . 4.8 m-20 -74.8 -45.28 44.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.413 ' CG2' HD13 ' A' ' 57' ' ' LEU . 27.1 m -65.83 -38.31 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.9 -57.79 7.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.158 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.83 -46.48 81.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.0 m -61.85 -39.23 91.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.73 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 37.2 t80 -68.76 -60.96 2.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -51.51 -38.08 52.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -74.23 -62.28 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.75 -52.92 28.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.73 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -56.51 -26.42 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.167 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -93.55 20.67 7.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm 64.14 15.0 9.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.741 0.305 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.25 -75.24 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -51.84 116.77 2.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.12 75.61 0.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -54.78 174.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.599 HG21 HG21 ' A' ' 75' ' ' ILE . 19.9 t -145.21 129.93 12.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.0 t -71.24 170.15 13.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.794 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -62.85 -56.57 16.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.08 -47.43 85.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.43 ' HG3' HD11 ' A' ' 14' ' ' LEU . 16.9 tp10 -60.06 -54.63 43.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.546 ' HA ' HD12 ' A' ' 14' ' ' LEU . 8.3 tpt -50.74 -62.15 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.53 -54.4 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -50.86 -42.88 59.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.766 HD13 HG23 ' A' ' 75' ' ' ILE . 5.2 mt -65.04 -47.31 77.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.432 ' HD3' ' HE3' ' A' ' 11' ' ' MET . 13.2 mmm-85 -52.03 -55.15 22.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.78 -34.96 79.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -58.44 -43.16 88.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.063 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.435 ' HA ' HD11 ' A' ' 29' ' ' ILE . 4.8 m-85 -77.04 -44.33 31.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.66 -20.18 66.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -65.06 -59.74 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.3 m -72.43 -8.36 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -74.53 73.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.75 -20.88 61.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.35 -11.12 14.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.08 63.37 4.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -109.64 -0.24 18.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.912 0.387 . . . . 0.0 110.947 -179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.17 18.16 64.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.414 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -137.23 166.48 23.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.819 0.342 . . . . 0.0 110.948 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.435 HD11 ' HA ' ' A' ' 18' ' ' PHE . 69.5 mt -137.07 125.3 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 t -104.22 -171.58 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -81.63 -21.08 38.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -64.63 -60.53 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.78 -46.58 87.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.78 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 12.0 mt -58.88 -54.77 43.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -51.89 -45.42 64.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -69.71 -31.14 68.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.816 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.777 ' CD2' HD12 ' A' ' 94' ' ' ILE . 4.8 tp -66.85 -55.2 15.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.78 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 8.5 m-30 -66.73 -40.19 88.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -50.87 65.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.29 -8.48 55.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.055 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 38' ' ' PHE . . . -65.35 -21.56 66.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.17 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.9 m 64.76 80.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.621 HD13 ' HB2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -121.17 155.36 58.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.559 0.695 . . . . 0.0 110.972 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -7.0 19.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.673 2.249 . . . . 0.0 112.313 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.621 ' HB2' HD13 ' A' ' 43' ' ' LEU . 10.2 mp -72.5 150.92 91.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.589 0.709 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -166.6 0.19 Allowed 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.727 2.284 . . . . 0.0 112.331 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.52 -51.53 5.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -56.15 -28.79 59.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.944 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -62.74 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 38' ' ' PHE . 3.6 p -57.12 -37.23 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.437 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.1 OUTLIER -71.15 -28.69 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -76.08 -42.89 45.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.551 HD12 HG21 ' A' ' 89' ' ' THR . 27.6 pt -68.41 -38.57 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.437 HG22 ' HA ' ' A' ' 51' ' ' ARG . 12.5 t -72.21 -40.37 67.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.418 ' N ' HG23 ' A' ' 54' ' ' THR . 23.8 mt-10 -67.35 -43.56 81.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.666 ' O ' HG22 ' A' ' 60' ' ' THR . 32.5 m-20 -69.61 -39.07 77.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.445 HD13 ' CG2' ' A' ' 86' ' ' VAL . 19.9 tp -63.44 -43.6 96.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.601 ' SD ' HD12 ' A' ' 34' ' ' LEU . 80.2 mmm -73.35 -32.89 64.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.842 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.9 -51.82 20.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.666 HG22 ' O ' ' A' ' 56' ' ' ASN . 7.3 t -78.58 -13.95 59.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.191 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -90.72 -20.81 38.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.542 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -94.03 99.18 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 mp -83.58 -41.1 18.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -76.51 -19.1 58.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 64.0 59.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -114.27 -12.6 12.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.68 3.85 39.99 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.48 173.0 12.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.838 -179.869 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.533 HD11 ' HA ' ' A' ' 58' ' ' MET . 13.2 mt -127.52 136.07 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.9 p -94.17 164.54 13.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -49.56 -54.01 20.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.31 -42.23 90.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' O ' HD13 ' A' ' 77' ' ' ILE . 13.0 mt-10 -55.51 -62.98 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.43 -60.02 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.766 HG23 HD13 ' A' ' 14' ' ' LEU . 69.6 mt -49.63 -44.47 19.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.095 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -56.81 -42.83 80.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.659 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -65.46 -32.23 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -71.85 -39.09 69.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -89.87 -8.62 51.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -109.16 -79.21 1.1 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.659 HD12 HG23 ' A' ' 77' ' ' ILE . 84.2 mt -50.59 128.92 21.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.356 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -51.09 161.47 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.8 p -51.22 113.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.41 ' OG1' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -118.52 157.26 27.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.937 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.66 -32.97 65.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 53' ' ' ILE . 7.5 m -70.78 -32.89 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.18 -49.98 44.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.054 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -42.23 92.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.551 HG21 HD12 ' A' ' 53' ' ' ILE . 99.0 m -63.4 -47.21 82.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.46 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 25.4 t80 -60.51 -57.43 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -51.73 -57.48 9.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -56.36 -58.15 9.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.59 -57.33 7.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.11 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.777 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -59.12 -20.12 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -92.22 17.82 9.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm 64.24 14.73 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.853 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 mmt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.708 0.29 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.22 136.7 48.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 64.4 mtp85 -120.42 65.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.81 40.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m -54.64 174.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.571 HG21 HG21 ' A' ' 75' ' ' ILE . 19.7 t -145.29 109.55 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 m -51.73 166.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.811 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -58.9 -56.26 24.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -58.62 -42.64 88.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.534 ' HG2' HG13 ' A' ' 6' ' ' VAL . 1.3 tp10 -63.61 -45.34 90.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -46.2 85.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 14.2 mtp -69.9 -51.03 36.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.24 -35.75 70.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.702 HD13 HG23 ' A' ' 75' ' ' ILE . 28.6 mt -76.48 -58.8 3.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -53.61 -37.22 62.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 7.8 pt-20 -74.48 -36.32 63.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.662 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -62.11 -37.75 86.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.431 ' HZ ' HD22 ' A' ' 14' ' ' LEU . 3.3 m-85 -73.86 -50.55 19.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.84 -14.07 60.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.163 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -60.03 3.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.2 m -72.65 -16.9 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.858 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -64.33 100.31 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -57.31 4.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -179.849 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -76.78 -11.48 59.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.16 58.28 9.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.467 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.2 p-10 -103.07 -15.75 15.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.823 0.344 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.33 18.58 60.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -129.48 147.81 51.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 110.904 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.2 mt -129.63 123.08 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.177 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.4 m -95.32 -171.79 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -74.88 -26.78 59.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -68.61 -45.37 72.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.16 -43.48 82.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.73 HD21 ' CD2' ' A' ' 57' ' ' LEU . 11.4 tp -62.15 -59.96 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -54.17 -47.57 71.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.8 -44.35 97.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.426 ' C ' HD13 ' A' ' 37' ' ' LEU . 2.8 tm? -58.73 -39.04 79.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.484 ' CB ' HG23 ' A' ' 50' ' ' VAL . 15.3 m-30 -73.75 -34.67 64.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -40.78 68.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.88 -27.11 28.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.457 ' HB1' ' HD3' ' A' ' 97' ' ' LYS . . . -61.1 -18.6 58.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.0 m 53.95 32.11 14.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.805 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.0 mt -57.44 158.5 10.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.721 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 -6.41 18.57 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.739 2.293 . . . . 0.0 112.327 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.645 HD22 ' HG3' ' A' ' 49' ' ' ARG . 28.1 mt -72.22 154.91 92.02 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.643 0.735 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -168.79 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.247 . . . . 0.0 112.321 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.97 -48.14 6.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -58.0 -30.01 65.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.645 ' HG3' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.06 -62.68 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.947 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.484 HG23 ' CB ' ' A' ' 38' ' ' PHE . 4.7 p -58.51 -39.24 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' HA ' HG22 ' A' ' 54' ' ' THR . 32.6 ttp85 -68.39 -28.19 66.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -75.39 -48.32 23.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.549 HD12 HG21 ' A' ' 89' ' ' THR . 21.9 pt -62.84 -39.16 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 51' ' ' ARG . 15.0 t -73.67 -38.04 65.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -64.4 -47.17 80.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.697 ' O ' HG22 ' A' ' 60' ' ' THR . 86.7 m-20 -68.43 -46.33 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.73 ' CD2' HD21 ' A' ' 34' ' ' LEU . 16.2 tp -55.19 -43.55 74.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -44.55 70.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.769 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.66 -38.24 87.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.697 HG22 ' O ' ' A' ' 56' ' ' ASN . 14.5 t -97.03 6.56 48.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.106 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -107.55 -13.76 19.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.509 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -106.73 114.87 29.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.903 0.382 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.59 -63.34 1.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -75.05 -12.99 60.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 63.61 55.19 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.6 p-10 -96.61 -11.91 24.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.1 16.8 29.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -147.42 143.08 27.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.333 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.469 HG23 ' HB3' ' A' ' 73' ' ' GLU . 16.6 mt -113.7 133.02 61.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.8 t -97.43 165.25 12.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -49.94 -54.65 18.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -57.61 -39.7 77.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.469 ' HB3' HG23 ' A' ' 69' ' ' ILE . 4.8 mt-10 -57.61 -63.73 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.442 ' HE1' HD11 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -52.03 -55.85 18.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.914 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.702 HG23 HD13 ' A' ' 14' ' ' LEU . 51.9 mt -54.67 -40.14 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -61.16 -33.71 73.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.76 HG23 HD21 ' A' ' 81' ' ' LEU . 1.6 mp -77.03 -32.2 19.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.604 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.3 m-85 -70.71 -39.76 73.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -95.12 -14.35 24.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.92 -98.85 0.75 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.76 HD21 HG23 ' A' ' 77' ' ' ILE . 2.8 pp -49.32 151.15 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 0.0 110.908 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -54.25 175.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.797 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.7 m -57.32 126.12 25.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.16 146.15 46.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -57.92 -44.49 86.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.6 m -58.72 -32.8 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.03 -47.39 80.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.05 -44.12 90.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.549 HG21 HD12 ' A' ' 53' ' ' ILE . 92.3 m -60.51 -41.02 93.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.233 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.656 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 22.6 t80 -66.66 -59.76 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -52.53 -37.56 57.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -72.71 -62.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.42 -50.85 50.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.662 HG21 ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -57.71 -25.14 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.926 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -95.82 22.13 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? 63.48 15.38 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.457 ' HD3' ' HB1' ' A' ' 41' ' ' ALA . 18.5 mtmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 119.207 -0.425 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 ptt? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.03 135.98 39.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -107.79 56.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.3 27.22 0.14 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -77.11 -173.17 2.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.948 0.404 . . . . 0.0 110.821 -179.72 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 6' ' ' VAL . 6.0 p -168.01 121.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 m -61.33 173.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -68.06 -56.4 9.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.798 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -54.67 -43.58 72.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -69.54 -47.37 63.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.5 tpt -51.63 -42.82 62.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.5 mtt -73.04 -57.32 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -50.91 -30.92 16.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.836 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.723 HD13 HG23 ' A' ' 75' ' ' ILE . 23.7 mt -79.15 -61.78 1.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -51.23 -37.3 46.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.814 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -75.91 -36.56 59.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.946 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.826 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -60.67 -35.86 77.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.511 ' HZ ' HD22 ' A' ' 14' ' ' LEU . 2.6 m-85 -77.1 -52.35 9.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.11 -27.16 19.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.9 -59.72 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.695 ' CG2' HD11 ' A' ' 94' ' ' ILE . 10.7 t -70.41 -15.27 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.043 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -71.7 79.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 p -73.03 -41.98 63.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -83.32 -11.44 57.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.85 60.27 7.53 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -112.77 -16.01 12.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.863 0.364 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.4 18.9 72.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.534 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -131.0 153.16 49.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 110.942 -179.856 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.8 mt -133.31 132.94 58.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.419 ' HA ' ' HE1' ' A' ' 58' ' ' MET . 1.4 m -104.05 -171.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.6 -36.58 62.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.923 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -61.3 -43.54 98.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.402 ' HB3' HG11 ' A' ' 21' ' ' VAL . 5.8 mt-10 -60.78 -56.04 25.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.605 HD12 ' SD ' ' A' ' 58' ' ' MET . 21.4 mt -58.69 -58.81 6.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.968 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -50.71 -36.81 38.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.67 -48.99 67.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.511 HD23 ' CD1' ' A' ' 38' ' ' PHE . 1.1 tt -61.56 -32.24 72.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.511 ' CD1' HD23 ' A' ' 37' ' ' LEU . 12.3 m-85 -82.2 -28.07 32.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.48 -27.28 41.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.44 -24.13 25.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.98 -24.38 38.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 91.0 m 52.05 81.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.963 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.4 mt -117.91 157.48 48.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.615 0.722 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 75.05 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.652 2.234 . . . . 0.0 112.385 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.77 HD13 ' HB3' ' A' ' 49' ' ' ARG . 0.8 OUTLIER -160.59 157.49 23.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 45' ' ' LEU . 54.4 Cg_endo -69.65 -170.87 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 179.798 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.93 -49.4 6.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.534 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -52.46 -27.38 15.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.896 0.379 . . . . 0.0 110.926 -179.784 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.77 ' HB3' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.66 -63.01 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.485 HG23 ' CB ' ' A' ' 38' ' ' PHE . 3.6 p -59.83 -36.83 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' HA ' HG22 ' A' ' 54' ' ' THR . 2.5 ttt180 -69.68 -28.46 65.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -75.97 -46.09 31.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.0 pt -65.21 -38.41 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 51' ' ' ARG . 15.0 t -73.66 -38.2 65.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -67.49 -48.14 67.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.665 ' O ' HG22 ' A' ' 60' ' ' THR . 44.8 m-20 -67.39 -42.8 82.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.445 HD23 HD13 ' A' ' 34' ' ' LEU . 26.6 tp -60.82 -42.12 97.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.605 ' SD ' HD12 ' A' ' 34' ' ' LEU . 79.5 mmm -69.79 -39.33 76.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.832 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.5 -49.22 64.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 56' ' ' ASN . 13.5 t -80.63 -6.74 58.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.82 -22.4 23.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.85 107.25 18.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.882 0.372 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.91 -54.92 7.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.28 -17.74 62.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 63.91 56.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.876 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -106.06 -19.01 13.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.97 22.09 8.57 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -152.46 136.78 16.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.32 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.477 HG23 ' HB3' ' A' ' 73' ' ' GLU . 16.4 mt -109.6 125.44 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 p -92.17 166.32 12.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -49.23 -54.8 14.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -58.44 -38.95 78.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.477 ' HB3' HG23 ' A' ' 69' ' ' ILE . 12.8 mt-10 -59.74 -63.46 1.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.444 ' HZ ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -50.82 -53.83 28.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.895 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.723 HG23 HD13 ' A' ' 14' ' ' LEU . 47.3 mt -57.71 -40.39 75.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -60.62 -31.21 70.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -81.7 -29.77 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -77.75 -27.06 50.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -109.28 -10.59 14.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.68 -12.32 59.55 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.476 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mp -143.03 149.06 37.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -50.84 166.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.94 101.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.98 149.56 22.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -51.76 -48.34 63.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.413 ' CG2' HD13 ' A' ' 57' ' ' LEU . 29.5 m -62.91 -37.36 79.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.11 -58.53 7.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -57.72 -45.45 85.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.4 m -60.77 -35.29 76.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -68.34 -62.02 1.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.96 -29.91 60.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -75.29 -57.48 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.84 -22.29 64.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.826 HG21 ' HB1' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -93.9 -22.93 5.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.919 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -67.26 -53.44 29.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -52.57 -45.07 66.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.947 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.966 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 tpt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.767 0.318 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.38 -58.16 4.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -100.39 26.55 6.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.8 18.84 56.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.535 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 p -61.84 175.58 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.934 0.397 . . . . 0.0 110.851 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.645 HG21 HG21 ' A' ' 75' ' ' ILE . 21.2 t -145.27 114.6 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -54.84 164.84 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.76 -56.01 27.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -57.95 -58.22 9.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -51.65 -50.02 61.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.4 tpt -51.75 -56.17 15.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -56.41 19.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.61 -34.87 39.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.701 HD13 HG23 ' A' ' 75' ' ' ILE . 11.6 mt -71.81 -60.26 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 1.1 ppt_? -54.79 -35.42 63.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -75.49 -29.99 59.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.923 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.583 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -72.12 -33.86 68.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -77.04 -49.8 14.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.71 -21.17 65.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -65.29 -59.72 3.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.45 HG13 HD11 ' A' ' 94' ' ' ILE . 15.4 m -71.8 -12.12 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -88.83 78.42 7.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.45 -22.57 61.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.49 -11.56 57.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.65 51.79 55.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -106.51 -16.07 14.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.65 2.1 90.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -119.4 166.25 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.902 -179.845 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.505 HG23 ' HG3' ' A' ' 33' ' ' GLU . 92.1 mt -136.18 132.74 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.157 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.5 p -104.13 -171.71 1.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -81.49 -24.84 36.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -63.93 -60.88 2.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.505 ' HG3' HG23 ' A' ' 29' ' ' ILE . 9.6 pt-20 -62.09 -30.01 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 mt -64.23 -56.71 12.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -63.3 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -67.2 -38.2 84.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.488 HD22 ' O ' ' A' ' 37' ' ' LEU . 1.8 tm? -67.61 -50.67 56.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -63.31 -37.84 88.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.625 ' HD2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -75.4 -28.69 59.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.94 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.22 -10.34 59.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.16 -24.7 42.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 68.9 m 57.28 55.34 5.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.05 160.21 43.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.551 0.691 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.656 ' O ' HD12 ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.69 75.91 1.15 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.709 2.273 . . . . 0.0 112.355 179.855 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 44' ' ' PRO . 1.3 mp -143.95 151.55 52.91 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.709 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.424 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 52.7 Cg_endo -69.79 -165.17 0.15 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.744 2.296 . . . . 0.0 112.349 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.45 -44.26 2.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -51.44 -35.23 38.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.889 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.424 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 2.6 tpt85 -61.61 -59.56 5.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.625 HG21 ' HD2' ' A' ' 39' ' ' LYS . 22.5 t -53.48 -49.89 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.162 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -25.83 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -77.28 -52.48 9.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.569 HD12 HG21 ' A' ' 89' ' ' THR . 17.4 pt -59.4 -39.84 80.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 55' ' ' GLU . 14.4 t -71.25 -41.42 70.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.447 ' N ' HG23 ' A' ' 54' ' ' THR . 9.1 mt-10 -60.8 -45.99 92.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.802 ' O ' HG22 ' A' ' 60' ' ' THR . 3.3 m120 -66.69 -53.61 31.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.456 HD21 ' CE1' ' A' ' 74' ' ' PHE . 27.4 tp -49.96 -41.25 46.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -55.66 12.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.01 -46.1 71.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.802 HG22 ' O ' ' A' ' 56' ' ' ASN . 13.7 t -86.67 6.37 31.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -120.39 13.96 10.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.436 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -129.21 110.07 11.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.27 -48.33 8.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -73.45 -18.81 61.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 63.76 53.28 2.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -112.75 -20.6 11.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.25 23.24 7.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.484 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -144.31 135.81 25.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.833 0.349 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.455 HG23 ' HB3' ' A' ' 73' ' ' GLU . 14.2 mt -109.0 123.78 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.0 t -88.25 165.6 14.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.43 -52.94 33.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -59.34 -40.56 86.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.455 ' HB3' HG23 ' A' ' 69' ' ' ILE . 9.4 mt-10 -56.15 -62.54 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.456 ' CE1' HD21 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -53.86 -58.62 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.923 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.701 HG23 HD13 ' A' ' 14' ' ' LEU . 80.4 mt -50.62 -44.44 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.6 mttp -56.67 -42.12 78.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.946 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -68.17 -32.68 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -70.39 -38.64 74.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -88.34 -15.55 35.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -96.53 -81.31 1.57 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.42 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.946 HD12 HG23 ' A' ' 77' ' ' ILE . 43.2 mt -50.83 154.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.95 0.405 . . . . 0.0 110.926 -179.895 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -60.59 -169.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.4 m -79.98 57.04 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.459 ' OG1' HG22 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -51.65 159.38 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.59 -31.7 71.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 53' ' ' ILE . 12.8 m -67.2 -34.4 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.73 -51.01 62.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.096 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -62.69 -44.07 97.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.569 HG21 HD12 ' A' ' 53' ' ' ILE . 95.5 m -62.17 -37.5 85.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.193 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.437 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 35.0 t80 -66.97 -61.2 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -52.25 -41.59 62.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -69.25 -61.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.76 -55.4 14.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.043 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.583 HG21 ' HB1' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -54.76 -25.86 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.085 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -80.88 -53.51 6.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -58.63 -41.91 87.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 mptt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.841 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.752 0.311 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.453 ' HB3' ' HB3' ' A' ' 5' ' ' SER . . . -106.4 177.04 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 179.819 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 83.3 mtm-85 -108.35 -41.37 4.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.74 12.31 69.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.442 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.453 ' HB3' ' HB3' ' A' ' 2' ' ' ALA . 60.1 p -90.03 -170.16 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.357 . . . . 0.0 110.864 -179.734 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 6' ' ' VAL . 6.4 p -169.01 121.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.1 t -58.93 172.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -66.38 -56.18 12.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -55.31 -45.92 76.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.44 -40.71 85.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.424 ' HE2' ' HB3' ' A' ' 15' ' ' ARG . 8.8 tpt -56.92 -45.34 82.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 32.7 mtp -73.78 -49.92 23.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -36.78 67.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.719 HD13 HG23 ' A' ' 75' ' ' ILE . 26.6 mt -77.11 -60.85 2.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.907 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.424 ' HB3' ' HE2' ' A' ' 11' ' ' MET . 1.3 ppt_? -50.56 -37.01 37.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -76.24 -34.97 59.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.695 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -61.62 -36.45 80.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.457 ' HZ ' HD22 ' A' ' 14' ' ' LEU . 2.8 m-85 -77.83 -53.17 7.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.907 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.7 -24.4 48.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -59.59 4.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.585 ' CG2' HD11 ' A' ' 94' ' ' ILE . 11.4 t -67.94 -22.68 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -77.22 61.9 2.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -21.24 58.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -91.1 -11.25 39.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.63 60.28 6.77 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -113.11 -15.8 12.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.358 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.61 18.32 78.52 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -131.6 157.94 42.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 -179.782 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.493 HG23 ' HG3' ' A' ' 33' ' ' GLU . 90.7 mt -136.34 121.54 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.8 t -94.26 -171.76 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -81.51 -23.52 37.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -65.54 -61.08 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.493 ' HG3' HG23 ' A' ' 29' ' ' ILE . 9.7 pt-20 -59.15 -32.11 69.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.603 HD22 ' SD ' ' A' ' 58' ' ' MET . 1.1 tp -64.86 -58.05 7.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.466 ' OD1' HG21 ' A' ' 54' ' ' THR . 0.1 OUTLIER -57.41 -37.78 73.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -71.55 -35.71 70.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 37' ' ' LEU . 2.5 tm? -68.12 -40.82 82.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -74.25 -38.98 63.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -71.45 -44.96 63.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.29 -19.35 54.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.45 -26.92 68.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.0 m 65.25 97.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.703 ' N ' HD13 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -133.2 158.47 75.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.97 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -5.88 17.23 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 2.275 . . . . 0.0 112.4 179.832 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.553 ' HB2' HD23 ' A' ' 43' ' ' LEU . 43.6 mt -71.47 153.59 93.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.619 0.724 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -167.31 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.673 2.249 . . . . 0.0 112.3 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.12 -55.44 2.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.46 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -49.94 -36.2 26.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.854 0.359 . . . . 0.0 110.892 -179.775 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.82 -49.03 76.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.622 ' O ' HG22 ' A' ' 54' ' ' THR . 21.7 t -65.49 -46.66 89.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.048 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -62.35 -24.48 67.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -78.99 -54.85 5.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.424 ' HA ' HG12 ' A' ' 86' ' ' VAL . 18.9 pt -55.53 -38.91 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 50' ' ' VAL . 9.6 t -73.5 -43.26 60.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.444 ' N ' HG23 ' A' ' 54' ' ' THR . 19.6 mt-10 -62.51 -41.12 98.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.696 ' O ' HG22 ' A' ' 60' ' ' THR . 30.0 m-20 -71.36 -44.91 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.86 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.581 HD23 HD21 ' A' ' 34' ' ' LEU . 22.5 tp -57.46 -41.17 80.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.603 ' SD ' HD22 ' A' ' 34' ' ' LEU . 96.2 mmm -74.09 -41.37 61.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.18 96.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.177 179.863 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.696 HG22 ' O ' ' A' ' 56' ' ' ASN . 12.6 t -93.47 6.37 48.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -123.68 18.39 7.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -132.72 98.05 4.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.82 0.343 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.83 -54.92 15.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -73.92 -18.32 60.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 62.26 51.93 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -102.69 -19.14 14.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.03 23.2 7.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -148.24 136.19 20.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.549 HG23 ' HB3' ' A' ' 73' ' ' GLU . 14.5 mt -111.87 128.81 68.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.6 p -91.45 170.0 10.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -51.04 -56.55 11.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -57.9 -40.22 79.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.806 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.549 ' HB3' HG23 ' A' ' 69' ' ' ILE . 25.1 mt-10 -56.87 -62.75 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.827 -179.847 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.485 ' HZ ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -55.28 -56.58 18.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 -179.914 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.719 HG23 HD13 ' A' ' 14' ' ' LEU . 51.0 mt -51.57 -41.78 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.148 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -59.1 -46.24 88.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.727 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -63.34 -32.94 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.079 179.886 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.494 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.0 m-85 -70.82 -40.46 72.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.34 -15.94 48.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.06 -44.7 4.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.419 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.727 HD12 HG23 ' A' ' 77' ' ' ILE . 97.7 mt -90.72 -73.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.872 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.15 33.48 12.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.1 p -151.65 23.19 0.7 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.402 HG23 ' H ' ' A' ' 87' ' ' ALA . 1.7 t -117.69 158.45 24.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.8 -25.14 52.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' A' ' 53' ' ' ILE . 4.1 m -69.35 -32.87 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.182 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.402 ' H ' HG23 ' A' ' 84' ' ' THR . . . -68.08 -51.68 43.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -63.83 -43.89 94.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.0 m -63.33 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.138 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.572 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 25.9 t80 -65.37 -58.73 5.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -53.06 -45.74 68.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -66.33 -60.13 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.0 -55.97 12.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.695 HG21 ' HB1' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -55.5 -23.12 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -83.86 -63.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -55.22 -45.19 75.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.827 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptp . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.748 0.308 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.39 135.05 33.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.031 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -70.37 155.08 41.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.65 20.79 5.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.456 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.11 175.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.946 0.403 . . . . 0.0 110.837 -179.706 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.67 HG21 HG21 ' A' ' 75' ' ' ILE . 21.5 t -145.26 125.17 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 m -62.33 167.63 4.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.25 -56.22 24.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.18 -55.81 29.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -54.38 -52.71 60.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.1 tpt -51.26 -43.46 61.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 30.8 mtp -66.99 -60.55 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.18 -34.15 30.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.713 HD13 HG23 ' A' ' 75' ' ' ILE . 37.6 mt -76.17 -60.93 2.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -51.16 -36.58 41.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 19.3 pt-20 -76.75 -34.97 58.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.64 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -61.51 -37.11 82.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.548 ' HA ' HD11 ' A' ' 29' ' ' ILE . 2.4 m-85 -78.05 -51.19 10.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.67 -22.67 57.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -63.91 -60.19 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 m -68.96 -12.47 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.843 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -74.12 75.32 1.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.3 m -72.3 -26.4 61.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -95.31 -10.63 29.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.48 63.01 5.37 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.468 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -112.17 -15.95 13.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.36 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.21 18.47 69.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -136.17 164.89 27.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.548 HD11 ' HA ' ' A' ' 18' ' ' PHE . 89.9 mt -137.07 123.05 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -97.45 -171.4 2.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -81.06 -23.84 38.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -63.5 -60.79 2.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.481 ' HG3' HG23 ' A' ' 29' ' ' ILE . 8.2 pt-20 -60.33 -34.89 74.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.648 HD21 HD23 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -65.21 -62.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.928 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -52.15 -42.6 63.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.46 -39.85 85.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.814 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' C ' HD13 ' A' ' 37' ' ' LEU . 2.7 tm? -62.93 -37.4 86.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -77.15 -35.05 56.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -48.2 51.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.965 179.892 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.76 -29.9 20.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.814 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.778 ' HB1' ' HE2' ' A' ' 97' ' ' LYS . . . -56.07 -24.87 42.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.9 t 59.26 66.47 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.427 ' HG ' ' HZ3' ' A' ' 97' ' ' LYS . 20.6 mt -94.54 158.98 34.63 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.623 0.725 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -7.11 20.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.489 HD22 ' HE ' ' A' ' 49' ' ' ARG . 41.8 mt -72.58 153.01 91.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.512 0.672 . . . . 0.0 110.978 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -169.27 0.32 Allowed 'Trans proline' 0 C--N 1.34 0.105 0 C-N-CA 122.676 2.251 . . . . 0.0 112.309 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.15 -54.03 5.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.503 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -53.66 -27.32 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 110.943 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.489 ' HE ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.34 -62.78 1.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 p -59.59 -36.58 65.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.164 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HA ' HG22 ' A' ' 54' ' ' THR . 9.0 tpp180 -70.32 -28.26 65.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -76.14 -44.47 38.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.419 HD12 HG21 ' A' ' 89' ' ' THR . 25.5 pt -67.07 -38.01 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 51' ' ' ARG . 14.8 t -73.45 -38.31 65.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.069 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -67.67 -46.51 72.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.672 ' O ' HG22 ' A' ' 60' ' ' THR . 56.2 m-20 -68.46 -42.91 78.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.648 HD23 HD21 ' A' ' 34' ' ' LEU . 30.4 tp -60.27 -45.65 92.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.564 ' HG2' HD22 ' A' ' 34' ' ' LEU . 85.4 mmm -68.77 -39.07 80.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.74 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.22 80.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 56' ' ' ASN . 10.2 t -89.8 5.43 46.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.125 -179.879 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -115.0 25.84 9.73 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -135.0 138.59 44.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.705 HD23 ' HG2' ' A' ' 73' ' ' GLU . 4.0 mm? -85.93 -43.03 13.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -108.04 -1.06 20.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 63.51 20.62 12.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -60.28 -20.45 59.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.15 -1.51 40.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 53.9 mtt-85 -121.55 135.92 54.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.725 0.297 . . . . 0.0 110.934 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.567 HG23 ' HB3' ' A' ' 73' ' ' GLU . 18.8 mt -111.25 125.7 68.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.3 t -92.09 169.06 10.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -50.2 -56.57 10.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.36 -40.58 78.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.97 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.705 ' HG2' HD23 ' A' ' 63' ' ' LEU . 10.0 mt-10 -55.95 -62.97 1.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.821 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.95 -56.78 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.713 HG23 HD13 ' A' ' 14' ' ' LEU . 37.7 mt -50.86 -40.2 19.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -60.58 -49.99 75.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.73 HG23 HD12 ' A' ' 81' ' ' LEU . 1.7 mp -59.71 -32.4 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.153 179.835 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.468 ' CD1' HD21 ' A' ' 14' ' ' LEU . 2.2 m-85 -71.87 -40.71 68.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -80.58 -17.17 52.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.12 -80.75 1.47 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.73 HD12 HG23 ' A' ' 77' ' ' ILE . 50.7 mt -51.49 137.53 23.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -60.4 -171.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.821 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.5 p -61.73 95.23 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.97 164.33 11.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.149 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.87 -34.91 64.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.511 ' CG2' HD13 ' A' ' 57' ' ' LEU . 27.8 m -67.08 -37.87 80.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.16 -48.35 62.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -65.12 -37.37 87.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.419 HG21 HD12 ' A' ' 53' ' ' ILE . 63.3 m -67.01 -42.79 84.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.614 ' CE1' HD13 ' A' ' 94' ' ' ILE . 20.4 t80 -65.05 -58.15 6.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -52.39 -46.54 66.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -66.41 -61.52 1.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.01 -56.29 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.64 HG21 ' HB1' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -55.91 -24.45 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -95.16 22.87 6.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt 58.86 19.43 7.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.778 ' HE2' ' HB1' ' A' ' 41' ' ' ALA . 35.6 mttt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.526 0.021 0 CA-C-O 120.783 0.325 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.33 -179.18 6.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.031 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -150.53 153.3 35.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 -179.907 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.84 64.81 0.33 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -67.46 90.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.94 0.4 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.692 HG12 ' HG2' ' A' ' 10' ' ' GLU . 2.1 m -49.62 118.23 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 63.1 m -57.98 173.31 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.71 -49.82 64.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -60.83 -58.96 6.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.692 ' HG2' HG12 ' A' ' 6' ' ' VAL . 1.9 tp10 -51.54 -55.54 18.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -42.85 55.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 mtt -68.08 -61.49 1.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.68 -32.19 18.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.714 HD13 HG23 ' A' ' 75' ' ' ILE . 41.8 mt -79.3 -62.03 1.82 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -50.4 -37.15 36.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 2.2 pp20? -76.14 -37.6 57.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.538 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -58.76 -36.38 74.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.918 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -78.27 -50.64 11.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.73 -22.27 57.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -62.91 -60.17 3.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.2 m -70.51 -17.47 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.193 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -61.48 95.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.2 p -72.73 -52.08 16.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 -179.854 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -80.05 -11.17 59.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.3 58.41 11.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 -179.898 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.1 p-10 -112.45 -15.64 13.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.64 18.51 54.62 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -121.95 152.81 39.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.883 0.373 . . . . 0.0 110.933 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.7 mt -136.99 118.73 18.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.429 ' HA ' ' HE1' ' A' ' 58' ' ' MET . 5.6 t -103.19 -172.36 2.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -67.18 -24.02 65.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -68.01 -57.18 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 -179.843 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.16 -45.48 87.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.718 HD21 HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -61.07 -62.68 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.855 -179.974 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.12 -37.85 48.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -71.96 -33.24 68.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.463 ' HG ' HD12 ' A' ' 94' ' ' ILE . 3.0 tm? -72.4 -41.41 66.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.916 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -76.56 -31.83 57.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -77.19 -50.32 13.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.08 -30.49 36.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.087 179.781 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.06 -21.65 46.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 93.5 m 55.39 54.6 8.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.2 mt -78.47 158.39 76.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.595 0.712 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -6.83 19.51 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mp -72.49 153.48 91.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.596 0.712 . . . . 0.0 110.937 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -166.95 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.377 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.33 -49.78 5.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -56.84 -31.28 64.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.929 0.395 . . . . 0.0 110.938 -179.82 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -62.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.56 -35.88 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.425 ' HA ' HG22 ' A' ' 54' ' ' THR . 1.3 ttt85 -70.46 -28.54 65.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.41 -44.76 34.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.44 HD12 HG21 ' A' ' 89' ' ' THR . 26.4 pt -66.67 -37.68 80.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 51' ' ' ARG . 15.2 t -74.03 -39.75 63.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.418 ' N ' HG23 ' A' ' 54' ' ' THR . 38.4 mt-10 -66.57 -47.11 73.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.801 -179.916 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.695 ' O ' HG22 ' A' ' 60' ' ' THR . 65.5 m-20 -68.18 -43.58 77.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.718 HD23 HD21 ' A' ' 34' ' ' LEU . 25.0 tp -57.71 -48.7 78.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.609 ' SD ' HD22 ' A' ' 34' ' ' LEU . 93.7 mmm -66.07 -41.01 91.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.756 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.37 -45.06 92.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.079 179.907 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.695 HG22 ' O ' ' A' ' 56' ' ' ASN . 14.6 t -89.36 6.21 41.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -117.44 13.65 13.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -121.1 125.16 46.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.89 0.376 . . . . 0.0 110.837 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.498 HD12 ' HG2' ' A' ' 73' ' ' GLU . 6.9 mt -82.85 -60.93 2.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -93.9 -5.97 46.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 60.38 49.43 6.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -81.66 -14.41 56.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.1 15.39 19.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.883 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -156.04 152.22 27.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.598 HG23 ' HB3' ' A' ' 73' ' ' GLU . 21.2 mt -117.45 130.18 72.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.6 p -92.82 173.69 7.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.98 -57.83 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -54.59 -40.99 69.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.598 ' HB3' HG23 ' A' ' 69' ' ' ILE . 31.6 mt-10 -56.18 -62.65 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.584 ' HZ ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -56.23 -56.04 25.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.714 HG23 HD13 ' A' ' 14' ' ' LEU . 52.9 mt -51.27 -41.91 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -60.21 -48.21 82.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.47 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -61.12 -32.48 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.482 ' CD2' HD21 ' A' ' 14' ' ' LEU . 1.9 m-85 -70.44 -41.03 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.903 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.69 -10.45 55.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -96.56 -53.83 1.4 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.509 HD13 ' OG1' ' A' ' 84' ' ' THR . 34.2 mt -64.67 163.57 13.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -91.09 60.79 4.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 m 51.7 51.43 16.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.509 ' OG1' HD13 ' A' ' 81' ' ' LEU . 3.0 m -56.54 161.02 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -44.63 82.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.427 ' CG2' HD13 ' A' ' 57' ' ' LEU . 27.5 m -56.61 -37.32 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 -179.916 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.41 -57.99 8.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -57.48 -39.02 75.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.44 HG21 HD12 ' A' ' 53' ' ' ILE . 94.7 m -64.76 -38.66 91.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.66 ' CE2' HD13 ' A' ' 94' ' ' ILE . 24.6 t80 -66.52 -59.95 3.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.777 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -51.98 -43.38 63.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -68.74 -62.85 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.39 -56.96 7.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.66 HD13 ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -55.41 -26.9 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.934 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -80.77 -28.43 36.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -68.67 -30.76 69.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.894 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.835 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.694 0.283 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.72 177.85 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -109.81 -44.33 3.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.72 48.44 1.84 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 m -61.0 -171.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.824 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.477 HG11 ' SD ' ' A' ' 11' ' ' MET . 8.1 p -160.24 127.4 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.0 m -67.56 171.33 6.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -66.09 -56.36 11.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.803 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.06 -45.7 83.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.01 -50.78 64.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.477 ' SD ' HG11 ' A' ' 6' ' ' VAL . 9.8 tpt -51.71 -43.62 62.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.0 mtp -66.89 -61.21 2.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -50.79 -33.69 24.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.706 HD13 HG23 ' A' ' 75' ' ' ILE . 31.3 mt -76.7 -61.07 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -50.85 -36.18 36.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 179.974 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 8.9 pt-20 -77.3 -34.9 55.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.562 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -61.1 -35.95 78.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.704 ' HA ' HD11 ' A' ' 29' ' ' ILE . 2.0 m-85 -80.18 -51.43 8.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.882 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.2 -23.51 48.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -59.61 4.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.655 ' CG2' HD11 ' A' ' 94' ' ' ILE . 5.4 t -71.05 -16.72 19.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -74.14 71.42 1.65 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.92 -29.31 63.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 -179.886 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -85.16 -11.64 54.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.95 59.58 6.87 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 -112.29 -16.4 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.96 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.87 5.85 84.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -123.79 166.28 15.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.894 0.378 . . . . 0.0 110.96 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.704 HD11 ' HA ' ' A' ' 18' ' ' PHE . 88.3 mt -136.69 113.58 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.2 t -87.55 -171.39 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -80.05 -33.43 39.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -53.56 -60.49 3.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.452 ' HG3' HG23 ' A' ' 29' ' ' ILE . 7.3 pt-20 -59.66 -47.57 85.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.7 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 tp -52.79 -62.23 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -53.22 -39.28 63.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.08 -39.33 93.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.445 HD23 ' CD2' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -68.95 -46.65 67.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.978 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.445 ' CD2' HD23 ' A' ' 37' ' ' LEU . 17.0 m-30 -66.07 -31.11 71.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -25.64 28.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.18 3.57 42.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.741 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.78 -11.85 49.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.2 m 64.98 55.86 1.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -133.39 140.8 38.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.662 0.744 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 90.98 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.709 2.273 . . . . 0.0 112.378 179.832 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.535 HD13 ' HB ' ' A' ' 50' ' ' VAL . 18.5 mt -114.58 150.2 43.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.949 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -7.66 21.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.737 2.291 . . . . 0.0 112.35 179.853 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.75 -58.28 1.09 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.507 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -58.59 -32.39 68.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -61.89 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.535 ' HB ' HD13 ' A' ' 45' ' ' LEU . 2.3 p -55.96 -36.5 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.406 ' HA ' HG22 ' A' ' 54' ' ' THR . 22.2 ttp180 -71.04 -28.81 64.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 -179.907 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -75.08 -45.26 42.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.414 HG13 ' N ' ' A' ' 54' ' ' THR . 23.7 pt -65.18 -40.43 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.2 179.91 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.414 ' N ' HG13 ' A' ' 53' ' ' ILE . 12.1 t -70.92 -39.82 72.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.406 ' N ' HG23 ' A' ' 54' ' ' THR . 48.8 mt-10 -68.34 -41.33 80.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.675 ' O ' HG22 ' A' ' 60' ' ' THR . 61.0 m-20 -68.92 -43.82 74.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.7 HD13 HD21 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -61.72 -46.3 90.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.643 ' SD ' HD22 ' A' ' 34' ' ' LEU . 83.8 mmm -71.27 -30.48 66.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.799 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.07 -40.3 62.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 56' ' ' ASN . 12.5 t -94.67 6.19 49.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.833 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -114.58 1.5 23.41 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.529 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -107.0 108.0 19.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.885 0.374 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.25 -59.6 2.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.26 -11.75 61.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.811 179.824 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 63.57 49.21 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -100.13 -15.81 18.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.92 -17.25 45.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.554 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.49 151.85 37.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.808 -179.799 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.604 HG23 ' HB3' ' A' ' 73' ' ' GLU . 19.4 mt -113.26 120.91 64.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 p -82.22 170.8 15.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.808 -179.835 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -49.81 -59.39 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -55.16 -42.48 73.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.604 ' HB3' HG23 ' A' ' 69' ' ' ILE . 33.2 mt-10 -56.53 -62.9 1.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.527 ' HZ ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -54.98 -57.49 11.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.905 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.706 HG23 HD13 ' A' ' 14' ' ' LEU . 53.4 mt -50.78 -41.67 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -59.15 -47.09 86.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.721 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -61.94 -33.8 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.069 179.872 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.589 ' CD1' HD21 ' A' ' 14' ' ' LEU . 2.0 m-85 -70.59 -40.74 73.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.58 -20.98 45.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.79 -19.12 35.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.529 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.721 HD12 HG23 ' A' ' 77' ' ' ILE . 7.5 mt -137.78 84.98 2.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.953 -179.884 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -95.02 28.21 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 179.854 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 m -140.79 28.13 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.11 144.89 39.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.78 -35.82 67.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.1 m -57.03 -38.11 58.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.02 -56.76 12.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -55.16 -47.82 74.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.3 m -58.87 -41.32 86.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.507 ' CE2' HD13 ' A' ' 94' ' ' ILE . 30.4 t80 -60.21 -60.72 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -51.37 -46.23 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -62.4 -63.08 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.54 -54.98 15.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.058 179.821 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.655 HD11 ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -57.45 -24.82 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -93.94 20.68 7.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt 61.46 17.66 8.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.891 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptt? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.24 56.76 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -102.28 132.04 48.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.34 15.48 57.56 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 p -74.95 -177.21 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.419 HG22 ' HB2' ' A' ' 11' ' ' MET . 7.5 p -158.46 123.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.7 p -65.05 165.55 10.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.796 -179.809 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.31 -56.37 22.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -53.61 -58.46 7.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.04 -48.97 72.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.419 ' HB2' HG22 ' A' ' 6' ' ' VAL . 9.5 tpt -50.95 -42.91 60.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.7 mtt -68.17 -61.31 1.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -50.82 -31.79 18.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.738 HD13 HG23 ' A' ' 75' ' ' ILE . 21.9 mt -79.17 -61.05 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -51.36 -37.4 47.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 1.8 pp20? -75.49 -37.64 60.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.718 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -59.76 -36.94 77.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.534 ' HZ ' HD22 ' A' ' 14' ' ' LEU . 2.9 m-85 -75.25 -52.0 11.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.34 -24.16 53.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -60.3 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.548 HG13 HD11 ' A' ' 94' ' ' ILE . 7.6 m -68.34 -12.32 15.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -74.59 74.52 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.75 -23.51 60.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.184 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -100.35 -11.25 20.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.85 56.74 17.05 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -101.95 -16.05 16.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.896 0.379 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.25 18.52 68.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -142.5 171.85 13.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.941 -179.8 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.431 HG23 ' HG3' ' A' ' 33' ' ' GLU . 78.3 mt -134.29 129.91 53.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 82.0 p -104.11 -172.69 2.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -81.34 -22.19 38.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -63.96 -60.33 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 -179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.431 ' HG3' HG23 ' A' ' 29' ' ' ILE . 5.7 pt-20 -62.08 -36.65 82.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.526 HD12 ' HG2' ' A' ' 58' ' ' MET . 10.4 mt -59.31 -59.99 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.7 -51.79 68.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.952 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -56.11 -33.48 65.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.767 ' CD2' HD12 ' A' ' 94' ' ' ILE . 8.3 tp -68.88 -62.51 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -58.69 -25.32 62.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -37.56 26.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.24 -32.9 73.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.421 ' HB1' ' NZ ' ' A' ' 97' ' ' LYS . . . -55.76 -24.68 36.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.7 t 65.8 30.5 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.574 HD13 ' HB2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -50.38 156.98 1.31 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.631 0.729 . . . . 0.0 110.924 -179.889 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -8.47 23.67 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.356 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.574 ' HB2' HD13 ' A' ' 43' ' ' LEU . 8.7 mp -72.74 152.86 91.4 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.56 0.695 . . . . 0.0 110.942 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -165.37 0.15 Allowed 'Trans proline' 0 N--CA 1.466 -0.125 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 179.838 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.79 -51.86 5.28 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -56.32 -30.12 62.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -62.96 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 p -56.01 -35.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.073 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.426 ' HA ' HG22 ' A' ' 54' ' ' THR . 19.4 ttp180 -70.5 -29.28 65.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.11 -45.18 42.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.406 HG13 ' N ' ' A' ' 54' ' ' THR . 23.9 pt -66.39 -39.99 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.426 HG22 ' HA ' ' A' ' 51' ' ' ARG . 15.2 t -71.3 -39.56 71.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.416 ' N ' HG23 ' A' ' 54' ' ' THR . 52.4 mt-10 -66.31 -43.85 85.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.705 ' O ' HG22 ' A' ' 60' ' ' THR . 70.6 m-20 -67.33 -45.84 75.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.971 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.07 -43.19 91.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.526 ' HG2' HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -67.1 -42.39 84.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.4 -53.9 36.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 56' ' ' ASN . 14.1 t -76.13 -4.81 43.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.915 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -99.98 -20.1 17.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -94.76 108.28 20.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.796 HD13 ' HG2' ' A' ' 73' ' ' GLU . 7.9 mp -81.02 -55.4 4.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.61 -14.83 62.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 63.79 33.87 12.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 p30 -86.42 -13.07 47.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.93 23.36 10.78 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.529 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -155.82 143.6 19.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' A' ' 58' ' ' MET . 11.8 mt -105.98 135.18 45.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.46 164.03 12.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.854 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -49.08 -53.52 20.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.38 -41.56 80.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.796 ' HG2' HD13 ' A' ' 63' ' ' LEU . 4.5 mt-10 -56.7 -63.52 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.29 -58.06 7.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.738 HG23 HD13 ' A' ' 14' ' ' LEU . 72.8 mt -51.43 -45.79 34.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -56.82 -35.8 69.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.1 mp -74.51 -32.14 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.166 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -78.53 -23.0 46.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.97 -30.71 12.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.24 -56.43 1.69 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.84 72.32 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.92 0.391 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.52 9.54 20.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.797 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.5 t -94.15 23.78 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.54 145.33 40.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 -179.904 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -71.06 -37.7 72.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.4 m -52.87 -35.09 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.61 -62.82 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -53.74 -45.61 70.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.1 m -60.44 -38.81 85.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.214 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -62.63 -61.58 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -28.99 65.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.947 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -73.4 -49.44 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.74 -17.85 62.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.767 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -94.65 -21.12 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -90.42 16.25 9.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.4 mttp 63.45 15.69 8.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.421 ' NZ ' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.807 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.824 0.345 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.8 -71.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -52.52 108.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.75 49.13 2.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.527 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -61.39 -169.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.719 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.503 HG11 ' SD ' ' A' ' 11' ' ' MET . 7.6 p -167.0 126.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.082 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 m -65.48 167.35 8.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -65.38 -56.53 12.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -56.72 -47.11 80.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.898 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -63.64 -51.56 64.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.503 ' SD ' HG11 ' A' ' 6' ' ' VAL . 9.8 tpt -51.08 -41.53 60.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 45.9 mtp -66.98 -59.05 3.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.37 -34.69 58.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -75.43 -59.84 2.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -52.37 -37.32 55.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.92 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 19.1 pt-20 -75.01 -34.48 61.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.694 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -63.13 -38.27 90.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.066 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.405 ' HA ' HD11 ' A' ' 29' ' ' ILE . 4.8 m-85 -73.71 -48.79 29.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.46 -14.4 62.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -60.69 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.0 m -70.47 -17.96 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -73.29 77.07 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 t -59.48 -33.16 70.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.2 -11.24 38.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.35 58.99 11.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -103.24 -15.85 15.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.958 0.408 . . . . 0.0 110.932 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.81 18.28 65.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.428 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -136.45 144.92 44.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 0.0 110.931 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.405 HD11 ' HA ' ' A' ' 18' ' ' PHE . 35.0 mt -120.83 131.79 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.8 m -102.25 -171.83 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -74.81 -29.72 61.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -67.1 -48.58 67.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.36 -54.12 50.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.552 HD22 ' HZ ' ' A' ' 38' ' ' PHE . 26.8 mt -57.54 -51.88 67.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.08 -53.67 54.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.68 -30.96 70.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.802 ' CD2' HD12 ' A' ' 94' ' ' ILE . 4.5 tp -68.74 -41.78 78.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.552 ' HZ ' HD22 ' A' ' 34' ' ' LEU . 5.9 m-85 -81.41 -19.48 42.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.28 -41.7 18.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.3 -27.03 68.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.052 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.11 -24.42 40.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.164 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 t 54.97 38.84 31.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.885 HD11 HD12 ' A' ' 45' ' ' LEU . 1.6 pt? -73.63 154.26 89.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.739 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 76.9 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.639 2.226 . . . . 0.0 112.331 179.843 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.885 HD12 HD11 ' A' ' 43' ' ' LEU . 58.4 mt -155.48 155.72 30.07 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.634 0.73 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -169.19 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.874 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.42 -47.92 5.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -57.18 -31.07 65.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -62.93 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.47 HG23 ' HB2' ' A' ' 38' ' ' PHE . 4.1 p -57.96 -37.24 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.423 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.5 OUTLIER -69.44 -28.34 66.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.89 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.55 -46.55 31.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.648 HD12 HG21 ' A' ' 89' ' ' THR . 22.5 pt -65.02 -39.49 85.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 51' ' ' ARG . 15.2 t -72.19 -39.44 68.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.409 ' N ' HG23 ' A' ' 54' ' ' THR . 41.9 mt-10 -65.51 -51.0 63.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.69 ' O ' HG22 ' A' ' 60' ' ' THR . 32.1 m-20 -65.23 -39.23 92.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.844 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.433 HD13 ' CG2' ' A' ' 86' ' ' VAL . 59.5 tp -63.03 -39.71 95.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -40.84 72.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.812 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.04 -42.98 88.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 56' ' ' ASN . 12.0 t -92.79 6.13 48.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.161 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.49 -25.36 8.24 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.424 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -96.59 110.26 22.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.76 -51.3 35.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -82.7 -17.64 43.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 64.34 60.55 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -104.93 -7.32 19.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.98 16.34 17.16 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.424 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -155.81 168.46 27.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.1 mt -126.18 131.51 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 t -94.71 165.47 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.71 -53.94 27.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -59.68 -40.62 88.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -55.22 -62.1 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.414 ' HZ ' HD21 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -55.86 -57.82 10.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 -179.943 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.572 ' HA ' HD12 ' A' ' 14' ' ' LEU . 26.3 mt -50.73 -40.57 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -60.51 -46.33 90.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.786 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -63.03 -31.02 51.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -72.91 -39.7 66.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -86.58 -10.91 52.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.521 ' O ' HD23 ' A' ' 81' ' ' LEU . . . -107.19 -13.44 21.24 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.786 HD12 HG23 ' A' ' 77' ' ' ILE . 10.5 mt -143.38 80.06 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 110.911 -179.885 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -93.04 44.92 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t -155.22 34.5 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.16 144.72 47.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 -179.899 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.77 -38.15 73.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.433 ' CG2' HD13 ' A' ' 57' ' ' LEU . 27.8 m -59.06 -34.01 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.35 -61.44 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -56.7 -39.93 74.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.648 HG21 HD12 ' A' ' 53' ' ' ILE . 96.5 m -60.43 -42.81 96.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.681 ' CE2' HD13 ' A' ' 94' ' ' ILE . 24.6 t80 -66.39 -60.23 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -51.35 -43.7 61.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -69.15 -63.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -48.95 -56.87 7.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.802 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.7 -24.55 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.135 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -83.94 -39.09 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -62.0 -29.75 70.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 mmt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.788 0.328 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.94 137.36 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.019 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.9 ttp85 -68.29 -68.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.46 16.31 2.69 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.534 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -57.41 175.2 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.959 0.409 . . . . 0.0 110.795 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.616 HG21 HG21 ' A' ' 75' ' ' ILE . 20.1 t -145.1 127.61 10.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 t -69.53 166.54 18.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -58.56 -56.29 24.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -57.99 -58.29 9.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.532 ' HG3' HD11 ' A' ' 14' ' ' LEU . 8.4 tp10 -51.28 -54.28 27.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.677 ' HA ' HD12 ' A' ' 14' ' ' LEU . 4.8 tpt -49.7 -62.23 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.08 -52.35 9.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -51.08 -48.2 61.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.794 HD13 HG23 ' A' ' 75' ' ' ILE . 2.6 mt -63.24 -46.26 87.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -50.74 -58.73 5.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -60.65 -36.84 79.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.55 -43.65 80.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 6.5 m-85 -76.28 -43.07 43.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.77 -20.08 66.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.135 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -66.75 -59.62 3.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 m -71.39 -22.95 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.08 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -69.51 86.36 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -72.57 -32.68 66.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -95.88 -11.41 26.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.48 60.9 6.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.411 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 -108.17 -15.88 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.381 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.06 18.28 63.35 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -128.03 148.88 50.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.943 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.461 ' CG2' HD13 ' A' ' 34' ' ' LEU . 40.6 mt -130.4 107.29 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t -84.48 -173.32 4.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -73.01 -26.77 61.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -66.59 -38.09 86.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.79 -44.04 67.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.516 HD11 ' HZ ' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -62.38 -49.02 77.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.07 -52.99 56.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -58.11 -32.16 67.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.778 ' CD2' HD12 ' A' ' 94' ' ' ILE . 4.3 tp -69.5 -62.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.431 ' HB2' HG23 ' A' ' 50' ' ' VAL . 6.5 m-85 -59.17 -32.57 70.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -36.14 63.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.75 -21.55 63.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.418 ' CB ' HD23 ' A' ' 43' ' ' LEU . . . -55.94 -29.74 60.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.583 ' C ' HD22 ' A' ' 43' ' ' LEU . 6.8 t 57.96 76.66 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.583 HD22 ' C ' ' A' ' 42' ' ' CYS . 4.6 mm? -126.13 158.64 65.65 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.727 ' O ' HD12 ' A' ' 45' ' ' LEU . 53.0 Cg_endo -69.79 73.84 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.764 2.309 . . . . 0.0 112.299 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.727 HD12 ' O ' ' A' ' 44' ' ' PRO . 1.7 mp -144.76 154.66 55.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.571 0.7 . . . . 0.0 110.822 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -168.79 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.607 2.205 . . . . 0.0 112.331 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -88.33 -44.71 5.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -59.69 -30.72 68.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.886 0.374 . . . . 0.0 110.928 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.62 ' HB3' HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -59.89 -63.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.565 ' O ' HG22 ' A' ' 54' ' ' THR . 5.6 p -59.26 -39.89 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -66.81 -26.52 66.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -77.4 -50.64 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.408 HD12 HG21 ' A' ' 89' ' ' THR . 21.4 pt -59.95 -39.21 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.565 HG22 ' O ' ' A' ' 50' ' ' VAL . 9.5 t -73.11 -42.84 62.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' N ' HG23 ' A' ' 54' ' ' THR . 68.4 mt-10 -64.87 -47.48 77.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.682 ' O ' HG22 ' A' ' 60' ' ' THR . 54.2 m-20 -66.42 -45.42 79.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.53 HD13 ' HB ' ' A' ' 86' ' ' VAL . 57.0 tp -57.36 -43.33 83.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -44.75 77.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.66 94.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 56' ' ' ASN . 14.7 t -93.4 6.51 47.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.203 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -112.85 -18.34 7.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -108.27 113.32 26.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.819 0.342 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.2 mp -86.09 -43.45 13.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -72.35 -19.6 61.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 62.17 55.1 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -108.14 -20.66 13.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.18 16.82 15.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -148.42 136.15 20.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.713 0.292 . . . . 0.0 110.927 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.524 HG23 ' HB3' ' A' ' 73' ' ' GLU . 18.0 mt -103.92 132.53 50.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -95.52 167.37 11.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -50.73 -55.03 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -58.08 -41.2 82.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.524 ' HB3' HG23 ' A' ' 69' ' ' ILE . 9.1 mt-10 -55.33 -62.58 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.516 ' HZ ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -55.74 -58.79 6.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.794 HG23 HD13 ' A' ' 14' ' ' LEU . 54.5 mt -49.35 -41.97 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -59.19 -51.65 69.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.468 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -57.58 -32.35 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -71.95 -40.53 68.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -82.94 -11.75 57.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -97.16 -85.78 1.79 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.468 HD12 HG23 ' A' ' 77' ' ' ILE . 44.2 mt -51.74 133.01 31.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -58.83 -176.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -51.69 103.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -107.99 171.88 7.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.447 ' H ' HG22 ' A' ' 84' ' ' THR . 1.4 m-20 -76.96 -44.88 29.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.53 ' HB ' HD13 ' A' ' 57' ' ' LEU . 26.4 m -63.21 -38.65 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.45 -60.33 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -56.12 -43.79 78.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.408 HG21 HD12 ' A' ' 53' ' ' ILE . 89.3 m -61.11 -37.3 82.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 32.0 t80 -67.23 -60.68 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -51.65 -41.76 61.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -70.01 -62.05 1.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.79 -53.66 23.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.778 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -56.32 -25.63 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -93.72 20.52 7.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.3 mttm 64.22 15.09 9.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.831 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 mtt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.75 0.31 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.92 102.28 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -137.92 135.93 36.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.5 14.3 81.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 m -62.92 174.52 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.005 0.431 . . . . 0.0 110.779 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.691 HG21 HG21 ' A' ' 75' ' ' ILE . 21.4 t -145.26 133.68 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.094 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.0 m -69.12 169.6 11.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.779 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.4 -56.52 15.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.9 -47.36 86.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.485 ' HG3' HD11 ' A' ' 14' ' ' LEU . 6.7 tp10 -59.86 -54.98 39.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.511 ' HA ' HD12 ' A' ' 14' ' ' LEU . 4.5 tpt -51.01 -62.03 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.04 -52.89 11.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -50.43 -50.85 50.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.907 HD13 HG23 ' A' ' 75' ' ' ILE . 2.9 mt -61.97 -43.93 97.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -51.44 -60.0 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -60.13 -35.93 76.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.411 ' CB ' HG21 ' A' ' 94' ' ' ILE . . . -57.76 -42.86 84.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 8.0 m-85 -75.69 -42.04 52.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.92 -20.48 65.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.083 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -67.35 -59.72 3.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.7 m -74.88 -17.97 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -77.8 63.49 2.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.7 -21.45 61.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -96.01 -11.03 27.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.21 59.91 7.83 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.2 p-10 -112.41 -16.1 12.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.895 0.378 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.67 17.37 79.95 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.485 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -133.85 160.84 36.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.851 0.357 . . . . 0.0 110.889 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.464 HD12 ' CE1' ' A' ' 74' ' ' PHE . 77.8 mt -135.06 118.6 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.2 p -90.24 -172.7 3.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -81.41 -24.22 37.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -65.89 -60.76 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.439 ' HG3' HG23 ' A' ' 29' ' ' ILE . 10.9 pt-20 -59.26 -35.7 74.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.8 tp -64.51 -60.23 3.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -51.6 -47.77 63.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -63.7 -47.45 81.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.414 ' C ' HD13 ' A' ' 37' ' ' LEU . 2.7 tm? -53.71 -37.97 63.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -75.3 -38.2 60.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HD2' HG11 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -70.07 -21.84 63.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.3 3.54 30.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.075 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.09 -20.43 39.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.3 t 64.6 48.65 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.1 mt -133.32 160.07 70.09 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.605 0.717 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 76.72 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.323 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 tp -131.5 136.35 28.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.678 0.751 . . . . 0.0 110.933 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -168.86 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.278 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.36 -41.43 6.54 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -63.07 -30.98 72.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -65.99 -63.04 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.437 HG11 ' HD2' ' A' ' 39' ' ' LYS . 6.1 p -58.48 -37.93 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.434 ' HA ' HG22 ' A' ' 54' ' ' THR . 32.4 ttp180 -69.71 -29.94 67.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -75.16 -48.01 25.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.735 HD12 HG21 ' A' ' 89' ' ' THR . 22.0 pt -64.81 -39.56 86.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.434 HG22 ' HA ' ' A' ' 51' ' ' ARG . 12.8 t -71.71 -38.3 70.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.02 -42.73 89.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.705 ' O ' HG22 ' A' ' 60' ' ' THR . 75.0 m-20 -69.03 -45.29 70.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.79 -44.66 90.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -36.81 74.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.97 -39.09 79.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 56' ' ' ASN . 14.1 t -96.36 6.44 48.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -108.59 -19.97 8.43 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -100.79 103.77 15.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.339 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.7 mp -83.86 -49.86 8.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.96 -19.08 62.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 63.55 41.1 7.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -84.18 -10.91 57.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.91 -13.5 49.54 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.456 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -135.73 157.73 46.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.448 HG23 ' HB3' ' A' ' 73' ' ' GLU . 14.9 mt -103.45 134.44 44.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.9 p -97.18 166.56 11.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -50.42 -54.89 18.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -55.74 -42.9 76.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.448 ' HB3' HG23 ' A' ' 69' ' ' ILE . 5.5 mt-10 -55.27 -62.52 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.464 ' CE1' HD12 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -55.63 -59.16 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.907 HG23 HD13 ' A' ' 14' ' ' LEU . 69.6 mt -48.73 -42.33 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -61.37 -42.89 99.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 73' ' ' GLU . 1.6 mp -64.4 -32.74 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -73.33 -39.53 65.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.89 -19.55 44.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.98 -62.66 0.96 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 mt -104.94 68.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -79.78 -2.17 42.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.1 m -100.63 28.64 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.98 144.75 36.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.32 -38.99 82.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.0 m -59.64 -36.77 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.8 -53.68 55.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -62.59 -45.09 94.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.735 HG21 HD12 ' A' ' 53' ' ' ILE . 98.9 m -56.61 -37.86 71.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.643 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 23.7 t80 -72.01 -59.08 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -50.85 -32.47 20.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.47 -57.01 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.71 -26.43 33.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.643 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -85.84 -24.27 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -94.09 22.12 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? 61.89 16.56 8.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.12 -75.43 0.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -99.78 170.06 8.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.38 59.87 0.36 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.465 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -54.68 174.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.656 HG21 HG21 ' A' ' 75' ' ' ILE . 18.8 t -145.72 113.51 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.1 m -52.06 159.99 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -53.06 -56.3 17.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -56.53 -57.17 13.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.43 ' HG2' HG13 ' A' ' 6' ' ' VAL . 1.8 tp10 -50.66 -53.17 33.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -42.87 63.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.9 mtt -67.11 -60.73 2.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.957 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -52.15 -33.1 38.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.697 HD13 HG23 ' A' ' 75' ' ' ILE . 33.1 mt -76.73 -59.99 2.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -52.65 -36.71 57.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.449 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 20.7 pt-20 -75.4 -35.76 60.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.6 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -62.12 -37.21 84.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -75.14 -51.09 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.16 -21.08 64.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -59.88 4.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.45 HG12 HD23 ' A' ' 37' ' ' LEU . 15.5 m -71.61 -14.21 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.044 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -67.39 88.83 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 p -72.36 -28.93 63.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -100.65 -11.24 20.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.19 61.41 7.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -111.69 -15.85 13.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.368 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.9 18.39 59.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -130.9 153.63 48.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.945 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.5 mt -132.67 131.43 59.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 p -104.19 -171.1 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.805 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -74.19 -36.82 64.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -62.72 -43.57 98.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -58.04 -57.13 14.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.741 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 17.7 mt -58.75 -47.21 85.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.27 -48.6 62.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -70.3 -29.09 65.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 37' ' ' LEU . 2.6 tm? -69.22 -43.91 73.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.741 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 8.5 m-85 -81.3 -25.66 36.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -43.19 23.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.76 -19.19 63.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.01 -24.04 36.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.0 m 59.24 23.87 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.855 HD11 HD12 ' A' ' 45' ' ' LEU . 1.6 pt? -67.98 154.2 94.12 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.637 0.732 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 78.32 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.855 HD12 HD11 ' A' ' 43' ' ' LEU . 50.6 mt -154.69 155.5 30.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 -169.15 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.268 . . . . 0.0 112.386 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.1 -52.44 3.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -51.69 -32.15 28.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.28 -51.36 69.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.7 t -64.86 -48.12 85.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -25.45 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -76.71 -54.88 6.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.6 pt -56.77 -39.95 67.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.9 t -72.45 -38.02 68.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -65.69 -43.18 89.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.706 ' O ' HG22 ' A' ' 60' ' ' THR . 80.1 m-20 -69.29 -48.2 62.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.73 -43.3 85.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.584 ' SD ' HD12 ' A' ' 34' ' ' LEU . 85.8 mmm -68.21 -42.94 79.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -45.36 88.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.706 HG22 ' O ' ' A' ' 56' ' ' ASN . 14.2 t -88.83 6.27 39.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.02 -10.87 21.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.456 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -107.96 109.14 20.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.4 mp -86.1 -51.71 6.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -71.66 -14.75 62.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 63.8 26.61 14.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -71.04 -18.98 62.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.98 9.13 35.16 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.527 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -148.09 163.28 37.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 73' ' ' GLU . 14.2 mt -119.85 127.44 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.8 p -93.66 169.76 10.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.67 -54.78 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -57.7 -41.24 81.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.542 ' HB3' HG23 ' A' ' 69' ' ' ILE . 18.0 mt-10 -56.89 -62.67 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.64 -57.59 10.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.697 HG23 HD13 ' A' ' 14' ' ' LEU . 55.9 mt -50.9 -42.4 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.199 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -58.69 -45.68 88.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.579 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -62.91 -34.06 64.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.509 ' CD1' HD21 ' A' ' 14' ' ' LEU . 2.0 m-85 -69.64 -40.62 76.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -82.55 -16.85 47.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.85 -84.62 1.48 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.515 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.579 HD12 HG23 ' A' ' 77' ' ' ILE . 41.7 mt -51.61 133.26 30.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.853 0.358 . . . . 0.0 110.929 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -57.79 -178.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.52 102.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.443 HG22 ' H ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -105.37 171.32 7.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.173 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.443 ' H ' HG22 ' A' ' 84' ' ' THR . 2.1 m-20 -77.33 -44.1 30.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.4 m -62.79 -39.47 85.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.61 -57.23 13.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -57.21 -47.17 81.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.3 m -59.54 -35.3 73.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.064 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.724 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 31.2 t80 -67.55 -60.76 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -51.78 -41.24 61.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -70.38 -61.82 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.0 -56.21 13.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.724 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -52.62 -28.15 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.86 -65.82 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -54.67 -34.83 62.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.859 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 ptp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.836 0.351 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.35 126.52 1.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -65.22 91.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.12 42.83 2.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.464 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 m -61.31 -172.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 6' ' ' VAL . 5.6 p -158.3 118.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.089 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.9 m -56.6 160.44 3.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -53.75 -56.4 17.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.7 -56.46 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -51.1 -53.14 36.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.11 -47.62 61.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -60.61 3.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.18 -30.73 17.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.723 HD13 HG23 ' A' ' 75' ' ' ILE . 13.9 mt -76.41 -61.32 1.99 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -51.29 -36.6 43.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 9.3 pt-20 -75.99 -35.62 59.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.644 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -64.17 -33.47 75.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -79.15 -51.71 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.59 -24.28 60.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -59.75 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.9 m -78.0 -6.27 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -77.19 61.38 2.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.37 -22.61 61.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -87.73 -11.03 49.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.832 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 54.8 47.7 70.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.525 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -112.68 -16.09 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.919 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.92 18.65 62.83 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.538 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -128.2 152.73 47.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.886 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 55.1 mt -129.14 118.43 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.9 t -92.76 -171.48 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -75.36 -27.8 59.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -68.39 -43.71 76.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.59 -56.91 16.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.673 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 16.9 mt -59.23 -50.07 75.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.02 -51.52 63.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -64.14 -29.9 70.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.771 ' CD2' HD12 ' A' ' 94' ' ' ILE . 4.5 tp -69.88 -59.28 3.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.673 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 8.4 m-85 -63.9 -25.72 68.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.22 -42.04 24.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.55 -22.17 63.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.62 -22.69 35.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.181 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.9 m 59.24 84.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 mp -118.71 160.22 41.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.616 0.722 . . . . 0.0 110.923 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -7.39 20.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.414 HD22 ' HG3' ' A' ' 49' ' ' ARG . 74.7 mt -72.82 153.92 91.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.631 0.729 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -169.36 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.706 2.27 . . . . 0.0 112.323 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.05 -50.47 5.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.546 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -55.37 -30.42 60.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.904 0.383 . . . . 0.0 110.946 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.414 ' HG3' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.16 -63.34 1.34 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.452 HG23 ' HB2' ' A' ' 38' ' ' PHE . 3.5 p -57.6 -36.62 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.403 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.1 OUTLIER -68.65 -29.02 67.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -74.56 -48.76 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.6 pt -62.34 -40.38 87.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.078 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 51' ' ' ARG . 14.9 t -72.03 -37.26 69.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -68.15 -42.81 79.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.707 ' O ' HG22 ' A' ' 60' ' ' THR . 75.2 m-20 -69.26 -46.24 67.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.805 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.56 -45.49 91.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.624 ' SD ' HD12 ' A' ' 34' ' ' LEU . 79.8 mmm -67.07 -40.68 87.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.64 -47.78 74.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.707 HG22 ' O ' ' A' ' 56' ' ' ASN . 12.9 t -86.49 6.3 31.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -114.44 13.47 20.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -131.5 115.7 16.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 63' ' ' LEU . 4.2 mm? -87.32 -40.73 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -77.84 -16.33 58.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 60.53 53.08 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -112.13 -20.31 11.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.13 23.36 7.74 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -144.4 145.45 31.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.781 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.498 HG23 ' HB3' ' A' ' 73' ' ' GLU . 16.6 mt -119.47 127.82 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.048 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 t -92.09 167.86 11.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.32 -55.05 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -58.72 -40.37 83.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.498 ' HB3' HG23 ' A' ' 69' ' ' ILE . 17.1 mt-10 -56.88 -62.78 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.45 -58.38 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.723 HG23 HD13 ' A' ' 14' ' ' LEU . 80.5 mt -50.62 -45.95 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm -54.87 -44.49 74.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.49 HG23 HD12 ' A' ' 81' ' ' LEU . 1.5 mp -65.78 -33.27 62.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -70.89 -38.52 73.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -84.86 -17.96 36.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -89.47 -84.62 1.31 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.537 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.49 HD12 HG23 ' A' ' 77' ' ' ILE . 42.6 mt -51.88 135.66 29.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.883 0.373 . . . . 0.0 110.95 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -176.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -55.51 100.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -104.05 169.23 8.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.089 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.447 ' H ' HG22 ' A' ' 84' ' ' THR . 3.5 m-20 -75.36 -44.17 46.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.5 m -62.14 -39.15 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.85 -61.44 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.078 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -54.2 -43.78 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.2 m -60.59 -39.49 88.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.629 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 31.8 t80 -64.8 -59.37 4.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.8 ttt85 -50.95 -48.19 61.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -64.53 -60.8 2.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.16 -57.35 6.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.033 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.771 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -55.3 -24.82 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -83.72 -28.88 27.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -67.73 -30.0 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.5 mtp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.74 0.305 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.48 146.42 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.58 143.43 2.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.9 35.33 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.398 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -85.44 -170.05 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 110.902 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.487 HG11 ' SD ' ' A' ' 11' ' ' MET . 8.8 p -165.52 129.64 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 62.0 m -73.75 167.09 22.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -58.95 -56.67 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -56.91 -58.5 7.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.527 ' HG3' HD11 ' A' ' 14' ' ' LEU . 5.6 tp10 -51.71 -51.82 53.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.553 ' HA ' HD12 ' A' ' 14' ' ' LEU . 5.1 tpt -49.7 -63.39 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.25 -54.12 9.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -50.42 -43.47 54.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.718 HD13 HG23 ' A' ' 75' ' ' ILE . 5.4 mt -65.12 -48.38 73.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.438 ' HG2' ' HE2' ' A' ' 11' ' ' MET . 31.5 mmm-85 -51.51 -58.71 5.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.18 -38.44 83.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.91 -43.46 77.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 6.2 m-85 -75.37 -52.94 9.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.68 -25.07 37.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -58.82 -59.71 5.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.5 m -77.69 -22.0 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -69.83 84.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.798 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -54.84 7.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -70.94 -11.17 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.57 55.54 30.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.3 p-10 -97.82 -15.61 20.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.902 0.382 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.61 18.32 62.14 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -134.77 154.97 51.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.795 0.331 . . . . 0.0 110.994 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.4 mt -132.22 116.29 28.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -90.23 -171.6 3.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -74.03 -32.78 63.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.811 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -64.39 -41.5 96.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.2 -56.57 19.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.673 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 19.1 mt -61.22 -49.69 76.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -51.08 -47.21 61.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.59 -29.63 64.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.475 ' HG ' HD12 ' A' ' 94' ' ' ILE . 3.0 tm? -69.28 -45.63 69.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.673 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 7.7 m-85 -75.87 -31.52 59.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.38 -44.45 44.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.99 -24.83 41.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.77 -22.63 37.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.0 m 58.77 48.07 11.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.4 mt -79.67 159.2 72.21 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.525 0.679 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -5.07 15.39 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.61 2.206 . . . . 0.0 112.375 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.454 HD23 ' CG ' ' A' ' 49' ' ' ARG . 8.3 mp -71.8 152.64 93.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.568 0.699 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.2 Cg_endo -69.84 -165.37 0.15 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.3 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.31 -53.29 3.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -52.04 -26.54 11.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.855 0.359 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' CG ' HD23 ' A' ' 45' ' ' LEU . 2.5 tpt180 -64.4 -63.58 1.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.54 HG23 ' HB2' ' A' ' 38' ' ' PHE . 2.8 p -57.42 -38.19 61.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' HA ' HG22 ' A' ' 54' ' ' THR . 27.8 ttp180 -69.93 -29.95 67.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -74.65 -48.65 25.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.5 pt -63.73 -40.31 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 51' ' ' ARG . 12.4 t -71.31 -36.63 71.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.49 -44.35 82.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.72 ' O ' HG22 ' A' ' 60' ' ' THR . 87.0 m-20 -68.91 -47.56 65.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.419 HD13 HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -58.34 -42.59 87.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.604 ' SD ' HD12 ' A' ' 34' ' ' LEU . 78.4 mmm -67.96 -42.1 81.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.69 -55.06 19.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 56' ' ' ASN . 14.5 t -74.93 -6.07 47.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.78 -22.18 19.04 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.505 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -91.44 99.03 12.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.458 HD11 HD11 ' A' ' 77' ' ' ILE . 8.2 mp -80.77 -52.18 7.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.79 -17.02 62.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 63.75 52.32 2.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -102.57 -5.61 23.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.97 -16.81 46.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.537 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.23 178.72 6.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.766 0.317 . . . . 0.0 110.891 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.532 HD11 ' HA ' ' A' ' 58' ' ' MET . 17.1 mt -125.37 132.47 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 p -93.82 166.69 12.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -49.58 -55.57 13.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.06 -42.15 84.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -57.06 -62.79 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.59 -59.06 5.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.718 HG23 HD13 ' A' ' 14' ' ' LEU . 58.6 mt -50.17 -42.57 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -58.02 -45.33 87.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.458 HD11 HD11 ' A' ' 63' ' ' LEU . 1.6 mp -63.18 -34.59 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -69.64 -39.22 77.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -84.62 -15.3 46.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.68 -65.1 1.1 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.459 HD13 ' OG1' ' A' ' 84' ' ' THR . 43.2 mt -51.38 129.01 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.335 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -51.24 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.8 t -153.0 85.8 1.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.459 ' OG1' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -99.46 144.8 28.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.41 -41.55 97.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.1 m -52.5 -33.84 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.39 -57.12 5.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -59.4 -34.67 72.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.5 m -68.55 -43.61 76.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.652 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 22.6 t80 -63.24 -55.53 24.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -54.55 -49.76 69.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -62.62 -55.7 24.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.39 -56.85 14.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.652 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -56.1 -24.84 18.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.122 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.21 -37.27 86.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -56.88 -24.46 51.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.83 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ttt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.779 0.324 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.54 35.78 11.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.078 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -56.98 105.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.6 58.5 0.82 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p -54.37 174.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.663 HG21 HG21 ' A' ' 75' ' ' ILE . 16.9 t -145.74 115.2 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.063 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.1 p -52.73 159.89 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -52.52 -56.23 16.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -56.48 -57.69 11.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' HG2' HG13 ' A' ' 6' ' ' VAL . 1.7 tp10 -50.2 -53.01 30.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -42.99 63.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mtt -68.44 -61.32 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -51.45 -31.47 23.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.706 HD13 HG23 ' A' ' 75' ' ' ILE . 25.8 mt -79.12 -61.01 2.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -51.84 -37.19 50.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 1.4 pp20? -75.5 -37.24 60.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.783 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.629 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -60.62 -36.11 77.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.447 ' HZ ' HD22 ' A' ' 14' ' ' LEU . 3.1 m-85 -75.94 -52.78 9.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.03 -18.6 58.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -64.76 -59.87 3.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.1 m -70.51 -23.03 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -76.18 82.78 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -32.76 74.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 p30 -85.26 -11.1 55.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.61 41.09 99.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 -87.21 -15.81 37.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.97 18.49 72.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -129.44 148.5 51.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.783 0.325 . . . . 0.0 110.969 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.405 HG23 ' HB2' ' A' ' 33' ' ' GLU . 33.0 mt -130.42 121.62 51.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.143 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.8 p -97.59 176.77 5.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -63.17 -25.78 68.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -68.75 -50.1 53.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' HB2' HG23 ' A' ' 29' ' ' ILE . 2.6 mt-10 -64.75 -43.1 94.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 34' ' ' LEU . 13.0 tp -62.25 -62.09 2.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -51.94 -47.93 64.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -62.18 -43.74 98.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' C ' HD13 ' A' ' 37' ' ' LEU . 2.8 tm? -58.49 -38.31 77.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -74.05 -35.82 64.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -40.08 71.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.03 -20.63 58.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.057 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.548 ' HB1' HD23 ' A' ' 43' ' ' LEU . . . -56.2 -28.91 60.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.135 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.436 ' C ' HD22 ' A' ' 43' ' ' LEU . 91.9 m 58.42 67.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.548 HD23 ' HB1' ' A' ' 41' ' ' ALA . 4.5 mm? -117.16 159.05 42.8 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.568 0.699 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 76.52 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.306 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.7 mt -150.95 152.99 32.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -169.69 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.676 2.251 . . . . 0.0 112.388 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.47 -45.21 5.9 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -59.74 -31.46 69.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.367 . . . . 0.0 110.945 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -60.65 -63.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.9 p -57.59 -40.08 73.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.403 ' HA ' HG22 ' A' ' 54' ' ' THR . 5.5 tpp180 -66.63 -28.96 68.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -73.99 -52.01 14.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.553 HD12 HG21 ' A' ' 89' ' ' THR . 17.1 pt -59.34 -40.67 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 51' ' ' ARG . 13.9 t -72.4 -35.83 68.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -66.99 -43.29 83.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.687 ' O ' HG22 ' A' ' 60' ' ' THR . 58.1 m-20 -69.92 -47.95 60.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -51.19 69.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -40.13 93.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.18 -41.74 99.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.044 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 56' ' ' ASN . 14.8 t -93.31 6.47 48.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.056 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -109.44 -9.79 24.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -105.32 109.42 21.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 mt -78.84 -53.26 7.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.65 -16.5 62.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.807 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 63.79 47.7 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -104.19 -21.37 13.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.11 23.1 7.87 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.479 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -146.9 136.21 22.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.745 0.307 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.55 HG23 ' HB3' ' A' ' 73' ' ' GLU . 21.5 mt -111.19 128.19 67.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 54.2 p -91.88 166.68 12.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -49.6 -56.57 9.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.57 -40.92 76.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.55 ' HB3' HG23 ' A' ' 69' ' ' ILE . 10.5 mt-10 -56.52 -62.63 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -58.05 9.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.706 HG23 HD13 ' A' ' 14' ' ' LEU . 54.5 mt -50.84 -41.26 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -59.27 -47.7 84.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.513 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -61.9 -32.83 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.467 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.1 m-85 -71.23 -40.24 71.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -83.9 -14.21 51.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -94.04 -85.82 1.63 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.474 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.513 HD12 HG23 ' A' ' 77' ' ' ILE . 42.2 mt -51.7 131.73 30.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.07 172.87 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.0 m -51.48 103.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.457 HG22 ' H ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -103.75 173.07 6.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.457 ' H ' HG22 ' A' ' 84' ' ' THR . 1.4 m-20 -77.47 -44.89 27.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 87' ' ' ALA . 20.2 m -59.73 -41.17 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.186 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.405 ' N ' HG23 ' A' ' 86' ' ' VAL . . . -59.02 -50.32 74.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -61.11 -49.27 77.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.553 HG21 HD12 ' A' ' 53' ' ' ILE . 95.3 m -55.48 -38.18 68.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.678 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 27.4 t80 -67.63 -60.65 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.798 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -52.82 -39.53 62.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -71.23 -62.11 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.15 -54.82 21.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.678 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -53.51 -26.53 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -41.86 69.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -53.8 -27.98 32.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.688 0.28 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.13 178.42 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -123.58 123.82 41.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.63 15.6 59.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.535 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 m -85.96 -170.78 3.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.835 0.35 . . . . 0.0 110.854 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.457 HG22 ' HB2' ' A' ' 11' ' ' MET . 9.0 p -166.08 128.06 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.6 t -72.81 168.74 18.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.827 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -59.81 -56.45 21.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -55.74 -57.84 10.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -51.91 61.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.457 ' HB2' HG22 ' A' ' 6' ' ' VAL . 10.3 tpt -51.53 -41.97 61.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.8 mmt -67.36 -60.8 2.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.14 -33.54 27.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.713 HD13 HG23 ' A' ' 75' ' ' ILE . 47.0 mt -76.69 -60.62 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -51.67 -36.56 46.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 17.0 pt-20 -76.15 -35.43 59.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.565 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -61.59 -37.65 84.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -76.37 -50.18 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.52 -16.75 57.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -69.99 -59.91 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.9 m -76.83 -11.17 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -60.51 96.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 p -72.78 -60.9 2.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -74.19 -11.34 60.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.59 42.88 97.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.435 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.8 p-10 -87.75 -16.28 34.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.29 1.05 59.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -122.57 171.63 8.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.941 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.8 mt -135.76 134.39 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -103.91 -171.42 1.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -77.1 -36.32 55.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -62.94 -34.4 77.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -68.3 -56.25 9.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.646 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 24.7 mt -60.33 -42.56 95.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.39 -50.07 74.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -62.26 -32.22 72.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.766 ' CD1' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -69.09 -62.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.646 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 6.9 m-85 -58.63 -36.12 73.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -70.02 -39.8 75.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.91 -26.97 64.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.118 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HB1' HD13 ' A' ' 43' ' ' LEU . . . -56.19 -27.83 55.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 99.3 m 55.02 54.39 9.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.522 HD13 ' HB1' ' A' ' 41' ' ' ALA . 5.1 mp -84.85 160.56 55.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.534 0.683 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 74.21 1.33 Allowed 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.737 2.291 . . . . 0.0 112.246 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -161.59 159.02 23.04 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.655 0.741 . . . . 0.0 110.952 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 45' ' ' LEU . 53.6 Cg_endo -69.74 -166.95 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.08 -52.23 4.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -49.4 -32.49 11.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -52.06 67.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.2 t -65.42 -48.23 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -24.83 67.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -77.64 -54.48 6.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.8 pt -56.95 -38.46 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 55' ' ' GLU . 14.9 t -73.85 -39.69 63.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.416 ' N ' HG23 ' A' ' 54' ' ' THR . 20.5 mt-10 -66.61 -47.05 73.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.678 ' O ' HG22 ' A' ' 60' ' ' THR . 40.0 m-20 -68.03 -42.38 80.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.404 HD13 ' CG2' ' A' ' 86' ' ' VAL . 26.0 tp -60.84 -43.77 97.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.583 ' SD ' HD12 ' A' ' 34' ' ' LEU . 89.0 mmm -70.83 -36.72 73.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.57 -47.22 67.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.1 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 56' ' ' ASN . 12.6 t -85.11 -1.13 56.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -111.57 17.24 25.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -116.01 112.19 21.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.338 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.507 HD23 ' HG2' ' A' ' 73' ' ' GLU . 4.6 mm? -85.95 -64.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -73.82 -7.79 53.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 53.92 60.74 3.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -114.52 -15.29 12.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.11 4.82 41.29 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -134.2 136.09 43.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 0.0 110.832 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.611 HG23 ' HB3' ' A' ' 73' ' ' GLU . 11.3 mt -107.98 117.2 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.24 171.93 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.827 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -52.12 -54.46 30.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.44 -42.43 78.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.611 ' HB3' HG23 ' A' ' 69' ' ' ILE . 26.0 mt-10 -55.16 -63.08 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.406 ' HZ ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -55.84 -57.44 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.9 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.713 HG23 HD13 ' A' ' 14' ' ' LEU . 40.2 mt -50.67 -39.92 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -60.38 -50.13 74.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.83 -32.33 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.612 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.1 m-85 -71.43 -41.19 69.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.08 -17.69 51.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.35 -58.03 1.32 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.5 mt -103.08 91.83 4.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -89.8 164.07 14.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.974 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 m 63.24 41.77 7.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.01 144.9 34.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.04 -41.93 99.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.404 ' CG2' HD13 ' A' ' 57' ' ' LEU . 30.6 m -66.8 -39.09 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.65 -56.74 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -57.99 -47.61 82.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.5 m -59.67 -39.51 84.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.644 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 32.0 t80 -62.85 -61.0 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.13 -41.27 62.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -67.09 -62.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.54 -56.11 15.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.171 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.766 HD12 ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -52.92 -27.28 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.09 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -80.1 -40.8 26.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -56.42 -38.08 71.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ttm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.758 0.313 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.01 -54.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -55.28 -41.9 72.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.74 163.99 24.71 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -160.21 131.37 5.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.671 HG12 ' HG2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -126.32 125.43 67.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.117 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -55.66 173.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -60.15 -48.17 82.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -61.8 -58.15 9.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.671 ' HG2' HG12 ' A' ' 6' ' ' VAL . 2.0 tp10 -55.12 -50.67 68.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.3 tpt -53.27 -44.44 68.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 22.5 mtp -67.82 -55.23 13.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -55.01 -35.51 64.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.701 HD13 HG23 ' A' ' 75' ' ' ILE . 42.8 mt -76.7 -59.73 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -53.11 -36.66 61.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 8.2 pt-20 -75.09 -35.83 61.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.734 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -62.16 -39.01 91.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.653 ' HA ' HD11 ' A' ' 29' ' ' ILE . 3.1 m-85 -73.91 -51.38 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.22 -20.21 62.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.52 -59.79 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.8 m -68.64 -19.02 23.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -66.1 90.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -46.82 57.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.51 -11.37 59.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.36 62.86 4.3 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.8 p30 -113.03 -15.11 12.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.374 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.65 18.65 67.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.468 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -127.21 152.33 47.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.362 . . . . 0.0 110.901 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.653 HD11 ' HA ' ' A' ' 18' ' ' PHE . 54.4 mt -129.87 118.06 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.36 177.51 5.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -62.01 -25.4 67.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -66.86 -49.33 66.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.09 -43.71 91.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.611 HD11 ' HZ ' ' A' ' 74' ' ' PHE . 1.2 tp -59.77 -55.31 35.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -54.99 40.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.842 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -58.14 -32.97 68.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.781 ' CD2' HD12 ' A' ' 94' ' ' ILE . 5.1 tp -66.42 -43.2 86.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.482 ' HB2' HG23 ' A' ' 50' ' ' VAL . 8.9 m-85 -81.18 -18.85 44.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.17 -39.53 23.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.12 -17.8 63.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.105 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.76 -25.9 43.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 94.8 m 51.87 68.68 0.77 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mp -119.15 158.1 49.19 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.728 ' O ' HD12 ' A' ' 45' ' ' LEU . 53.0 Cg_endo -69.84 72.32 1.49 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.59 2.193 . . . . 0.0 112.34 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 44' ' ' PRO . 1.6 mp -145.13 152.54 51.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.591 0.71 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -169.76 0.35 Allowed 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.42 -47.44 4.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -57.37 -28.93 63.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.83 0.348 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.65 ' HB3' HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.14 -62.78 1.53 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.916 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.482 HG23 ' HB2' ' A' ' 38' ' ' PHE . 4.6 p -58.8 -38.09 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.433 ' HA ' HG22 ' A' ' 54' ' ' THR . 3.4 tpp180 -69.63 -28.2 65.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -75.88 -45.76 33.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.2 pt -65.97 -38.77 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.155 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 51' ' ' ARG . 15.1 t -72.83 -39.26 66.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' N ' HG23 ' A' ' 54' ' ' THR . 51.1 mt-10 -66.04 -48.89 69.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.647 ' O ' HG22 ' A' ' 60' ' ' THR . 45.2 m-20 -65.88 -42.27 90.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.531 HD23 HD21 ' A' ' 34' ' ' LEU . 48.8 tp -59.63 -45.4 92.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -41.13 89.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.06 88.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.647 HG22 ' O ' ' A' ' 56' ' ' ASN . 13.1 t -92.72 6.16 48.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -121.73 12.47 9.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.44 114.11 23.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.5 mp -85.68 -63.45 1.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -72.34 -9.29 58.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 52.65 59.68 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -109.79 -12.28 14.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.0 -0.5 41.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.6 136.07 40.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.747 0.308 . . . . 0.0 110.879 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.0 mt -100.99 136.3 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.4 t -99.8 172.9 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -54.46 -54.52 39.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -58.42 -39.85 80.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.409 ' O ' HD13 ' A' ' 77' ' ' ILE . 44.1 mt-10 -55.6 -63.19 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.611 ' HZ ' HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -55.95 -57.01 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.701 HG23 HD13 ' A' ' 14' ' ' LEU . 41.0 mt -50.3 -43.15 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -59.25 -44.49 92.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.449 HG23 HD12 ' A' ' 81' ' ' LEU . 1.7 mp -64.0 -31.67 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CD2' HD21 ' A' ' 14' ' ' LEU . 1.7 m-85 -71.83 -42.26 67.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -85.93 -9.7 56.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -94.91 -68.51 1.03 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.465 HD13 ' OG1' ' A' ' 84' ' ' THR . 63.5 mt -51.42 128.03 21.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.848 0.356 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -51.46 -47.62 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.88 110.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.034 0.445 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.465 ' OG1' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -120.25 147.63 44.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.132 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.14 -43.07 96.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.79 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.5 m -56.84 -34.49 43.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.27 -58.61 7.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.44 -47.65 85.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.2 m -56.15 -34.67 66.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.614 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 21.9 t80 -71.79 -59.43 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -52.03 -32.46 34.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -81.03 -56.78 3.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.544 ' O ' HD11 ' A' ' 37' ' ' LEU . . . -55.94 -26.6 48.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.781 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -85.68 -20.21 8.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.185 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -91.99 18.31 8.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.2 mttt 62.68 16.0 8.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.4 ttm . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.811 0.339 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.83 172.16 18.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -99.99 -73.34 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.71 33.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -85.31 -172.72 4.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.927 0.394 . . . . 0.0 110.822 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 6' ' ' VAL . 4.4 p -168.4 115.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 m -56.72 154.88 8.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.79 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -50.33 -54.85 18.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -56.54 -58.16 9.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.506 ' HG3' HD11 ' A' ' 14' ' ' LEU . 10.9 tp10 -50.08 -53.93 23.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.447 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -48.74 -62.67 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.26 -55.36 5.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -50.83 -43.46 59.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.698 HD13 HG23 ' A' ' 75' ' ' ILE . 5.0 mt -65.19 -48.19 74.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -50.51 -58.66 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -62.67 -35.07 78.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.652 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -56.31 -44.07 79.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.575 ' HA ' HD11 ' A' ' 29' ' ' ILE . 5.0 m-85 -76.8 -42.57 40.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.19 -11.78 59.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -71.59 -59.72 2.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.493 HG11 ' HB2' ' A' ' 37' ' ' LEU . 17.0 m -77.16 -13.08 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.119 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -58.95 97.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.5 p -72.93 -60.91 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -80.1 -11.57 59.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.83 53.62 43.73 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.0 p30 -94.32 -16.23 23.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.13 8.55 55.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.408 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 5.9 m-85 -130.82 159.92 35.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.356 . . . . 0.0 110.916 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.575 HD11 ' HA ' ' A' ' 18' ' ' PHE . 60.8 mt -129.44 125.89 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.064 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.457 ' HA ' ' HE1' ' A' ' 58' ' ' MET . 0.6 OUTLIER -103.92 -171.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -70.44 -27.8 64.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -64.22 -54.12 38.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.31 -51.22 68.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.929 HD21 HD23 ' A' ' 57' ' ' LEU . 6.2 tp -53.91 -62.87 1.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -49.6 -49.53 46.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -60.02 -31.71 70.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.514 ' HG ' HD12 ' A' ' 94' ' ' ILE . 2.6 tm? -77.03 -35.09 57.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.575 ' HB3' HG23 ' A' ' 50' ' ' VAL . 14.9 m-30 -79.39 -25.15 42.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.25 -48.02 10.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.9 -24.99 40.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.053 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.75 -23.6 43.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.458 ' C ' HD22 ' A' ' 43' ' ' LEU . 4.3 t 56.65 83.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.458 HD22 ' C ' ' A' ' 42' ' ' CYS . 4.5 mm? -118.87 159.21 45.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.67 19.14 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.64 2.227 . . . . 0.0 112.391 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 mt -72.33 152.71 92.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.625 0.726 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.408 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.6 Cg_endo -69.69 -165.26 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.74 -52.67 3.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -51.91 -26.98 11.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 110.906 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.408 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 2.1 tpt180 -62.85 -63.48 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' A' ' 38' ' ' PHE . 3.0 p -58.82 -37.71 68.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.437 ' HA ' HG22 ' A' ' 54' ' ' THR . 33.1 ttp85 -69.55 -28.64 66.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -75.82 -45.66 34.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.3 pt -66.26 -38.24 81.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.437 HG22 ' HA ' ' A' ' 51' ' ' ARG . 14.6 t -73.7 -38.86 64.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.201 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -65.95 -46.92 76.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.675 ' O ' HG22 ' A' ' 60' ' ' THR . 57.8 m-20 -68.72 -42.74 77.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.929 HD23 HD21 ' A' ' 34' ' ' LEU . 44.5 tp -58.48 -46.04 87.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.558 ' SD ' HD22 ' A' ' 34' ' ' LEU . 85.9 mmm -69.62 -39.29 77.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.07 91.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 56' ' ' ASN . 12.6 t -96.64 6.31 48.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.16 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -120.57 22.71 8.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.527 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.46 114.71 18.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mp -83.12 -64.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -72.98 -11.47 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 57.7 60.24 2.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -108.91 -10.93 15.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.14 -13.2 48.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.527 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.408 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 9.7 mmt85 -120.89 147.6 45.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.793 0.33 . . . . 0.0 110.87 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.7 mt -113.52 121.89 66.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.85 166.2 21.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -51.07 -55.43 17.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.55 -42.75 83.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -54.96 -62.71 1.48 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.43 -60.25 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.698 HG23 HD13 ' A' ' 14' ' ' LEU . 71.7 mt -49.05 -41.21 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -59.71 -45.76 91.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.422 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -66.04 -31.46 53.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.08 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -71.73 -38.66 70.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -89.85 -10.65 44.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.806 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.29 -84.43 1.57 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.452 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.422 HD12 HG23 ' A' ' 77' ' ' ILE . 53.1 mt -51.6 140.01 19.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 0.0 110.932 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -51.72 169.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.5 m -51.68 102.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.21 167.59 9.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.09 -42.76 36.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.527 ' CG2' HD13 ' A' ' 57' ' ' LEU . 19.4 m -57.92 -41.08 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.97 -62.49 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -54.58 -44.39 72.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 83.3 m -60.14 -41.71 93.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.513 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 23.5 t80 -61.73 -61.19 2.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -58.23 -29.59 65.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.91 -51.03 24.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.05 -22.24 63.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.652 HG21 ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -89.19 -20.79 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -91.85 18.76 7.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm 64.03 14.46 8.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.833 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.18 -38.27 6.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.038 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 72.6 mtt-85 -52.8 170.32 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.43 35.18 3.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 p -53.74 173.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.914 0.388 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.633 HG21 HG21 ' A' ' 75' ' ' ILE . 19.4 t -145.44 115.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -51.73 160.31 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -54.84 -56.57 18.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -59.0 -47.71 84.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.479 ' HG3' HD11 ' A' ' 14' ' ' LEU . 15.3 tp10 -56.54 -54.67 43.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.437 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -51.25 -62.31 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -52.21 8.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.59 -52.24 49.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.801 HD13 HG23 ' A' ' 75' ' ' ILE . 3.1 mt -61.25 -44.13 97.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -50.64 -60.48 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -61.57 -34.55 75.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.524 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -57.02 -44.09 82.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 8.0 m-85 -76.22 -43.12 43.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.89 -12.47 60.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.046 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -59.34 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.902 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' A' ' 37' ' ' LEU . 18.3 m -79.17 -6.84 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.43 98.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.7 p -73.01 -60.7 2.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.9 p30 -90.58 -11.3 40.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.34 35.67 76.88 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -76.3 -16.02 59.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.89 -1.66 61.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' A' ' 68' ' ' ARG . 10.2 m-85 -118.34 168.87 10.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.823 0.344 . . . . 0.0 110.954 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.5 mt -136.94 121.05 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.8 m -97.96 -171.89 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -67.83 -44.63 76.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -50.77 -51.45 50.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.52 -54.98 40.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.616 HD22 ' HG2' ' A' ' 58' ' ' MET . 0.5 OUTLIER -55.02 -61.56 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.96 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -50.47 -34.53 25.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -73.7 -37.61 65.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.526 ' HG ' HD12 ' A' ' 94' ' ' ILE . 2.9 tm? -69.31 -39.66 78.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.538 ' CB ' HG23 ' A' ' 50' ' ' VAL . 13.9 m-30 -76.83 -35.8 57.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.79 -37.13 62.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.63 3.06 38.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.528 ' O ' HD12 ' A' ' 43' ' ' LEU . . . -60.65 -18.77 55.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 70.3 m 60.33 23.63 13.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -100.52 159.7 28.96 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.561 0.696 . . . . 0.0 110.901 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.744 ' O ' HD22 ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.84 75.26 1.26 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.299 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.744 HD22 ' O ' ' A' ' 44' ' ' PRO . 4.0 mm? -135.14 136.08 24.04 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.668 0.747 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.463 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 53.0 Cg_endo -69.76 -165.99 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.726 2.284 . . . . 0.0 112.281 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.51 -37.92 5.73 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.572 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -64.51 -35.71 81.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.958 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 6.7 tpt85 -68.2 -58.06 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.538 HG23 ' CB ' ' A' ' 38' ' ' PHE . 6.3 p -56.21 -40.34 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.454 ' HA ' HG22 ' A' ' 54' ' ' THR . 27.4 ttp180 -72.22 -30.45 64.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.04 -42.3 48.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.46 ' HB ' HG12 ' A' ' 86' ' ' VAL . 28.2 pt -69.82 -36.4 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 51' ' ' ARG . 13.3 t -75.36 -37.24 60.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -69.22 -44.85 71.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.682 ' O ' HG22 ' A' ' 60' ' ' THR . 61.1 m-20 -70.49 -45.64 65.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.578 HD23 HD21 ' A' ' 34' ' ' LEU . 18.2 tp -60.69 -43.14 98.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.616 ' HG2' HD22 ' A' ' 34' ' ' LEU . 81.6 mmm -72.07 -35.27 69.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.7 -38.02 73.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 56' ' ' ASN . 11.2 t -98.21 6.41 47.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.159 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.06 10.77 31.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.513 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -123.83 123.77 41.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.58 -60.62 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.7 p30 -82.09 -9.13 59.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 63.09 45.87 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -87.2 -17.88 31.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.1 7.43 38.06 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.449 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.414 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 9.3 mtt-85 -134.91 136.0 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.558 HG23 ' HB3' ' A' ' 73' ' ' GLU . 21.7 mt -108.25 120.76 60.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 m -84.0 166.56 17.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -50.76 -55.27 17.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -57.6 -39.98 78.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.558 ' HB3' HG23 ' A' ' 69' ' ' ILE . 5.0 mt-10 -55.98 -62.66 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.527 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -55.87 -57.42 12.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.801 HG23 HD13 ' A' ' 14' ' ' LEU . 53.7 mt -50.54 -40.18 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -61.21 -52.02 66.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.98 -31.37 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -74.05 -39.1 63.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -83.42 -12.29 56.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -101.4 -56.24 0.88 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 mt -103.42 87.75 2.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.858 0.361 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -94.47 24.48 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.1 m -121.83 24.15 9.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.72 144.51 40.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.132 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.45 -31.77 48.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.578 ' CG2' HD13 ' A' ' 57' ' ' LEU . 13.8 m -59.8 -34.05 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.57 -62.54 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.083 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.29 -44.6 79.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.6 m -61.61 -31.55 71.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.099 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -71.92 -62.41 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -32.23 62.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -75.36 -55.49 5.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.76 -22.55 65.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.526 HD12 ' HG ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -94.19 -25.05 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -63.16 -46.5 86.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.822 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -109.39 6.39 24.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.886 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 mtt . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.771 0.319 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.89 57.42 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.035 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -72.53 -176.73 2.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.12 29.51 3.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -61.71 -170.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.416 HG11 ' SD ' ' A' ' 11' ' ' MET . 7.6 p -163.61 124.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 73.4 m -64.19 166.74 7.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -59.55 -56.01 27.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -56.92 -57.5 12.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.49 -44.98 69.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.416 ' SD ' HG11 ' A' ' 6' ' ' VAL . 9.9 tpt -56.7 -46.04 81.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.0 mtp -68.33 -54.82 14.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.39 -35.19 62.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.723 HD13 HG23 ' A' ' 75' ' ' ILE . 21.0 mt -75.75 -59.11 2.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -53.35 -36.36 61.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -75.89 -31.71 59.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.661 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -66.22 -36.87 84.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.071 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.519 ' HZ ' HD22 ' A' ' 14' ' ' LEU . 2.6 m-85 -76.27 -50.4 14.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.12 -21.54 61.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -60.21 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 m -67.16 -15.98 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -69.4 86.09 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.52 -22.48 61.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -107.58 -11.12 15.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.69 59.83 7.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.485 ' ND2' HH21 ' A' ' 68' ' ' ARG . 13.0 p30 -112.53 2.75 16.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.942 0.401 . . . . 0.0 110.921 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.39 17.69 62.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -127.08 158.53 36.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.376 . . . . 0.0 110.852 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.593 HG23 ' HG3' ' A' ' 33' ' ' GLU . 82.2 mt -136.94 126.19 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.167 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 p -101.24 -171.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -79.39 -24.32 42.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -64.04 -61.21 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.593 ' HG3' HG23 ' A' ' 29' ' ' ILE . 8.5 pt-20 -62.16 -29.85 70.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.424 HD22 ' CE1' ' A' ' 38' ' ' PHE . 6.1 mt -63.28 -62.23 1.83 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.97 -44.62 87.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.15 -42.23 98.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.453 ' C ' HD13 ' A' ' 37' ' ' LEU . 2.7 tm? -63.75 -36.54 84.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.424 ' CE1' HD22 ' A' ' 34' ' ' LEU . 19.0 m-85 -79.46 -27.56 41.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.71 -38.31 33.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.2 -26.04 36.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.93 -28.8 58.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.6 m 50.93 71.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -115.07 159.77 36.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.597 0.713 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.72 77.96 1.02 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.637 2.224 . . . . 0.0 112.404 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -155.92 158.36 31.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.584 0.707 . . . . 0.0 110.933 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -169.54 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.314 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -88.56 -45.96 4.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -51.98 -28.15 15.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.874 0.369 . . . . 0.0 110.904 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.511 ' HB3' HD12 ' A' ' 45' ' ' LEU . 5.9 mmt180 -61.56 -63.12 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.3 p -59.66 -36.0 62.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.43 ' HA ' HG22 ' A' ' 54' ' ' THR . 3.4 ttt180 -70.28 -28.15 64.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -76.69 -44.2 34.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.494 HD12 HG21 ' A' ' 89' ' ' THR . 26.4 pt -67.43 -37.71 79.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.43 HG22 ' HA ' ' A' ' 51' ' ' ARG . 15.4 t -73.38 -40.41 64.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.201 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.428 ' N ' HG23 ' A' ' 54' ' ' THR . 41.4 mt-10 -67.49 -44.81 77.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.648 ' O ' HG22 ' A' ' 60' ' ' THR . 30.2 m-20 -68.64 -42.37 78.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.53 HD13 ' HB ' ' A' ' 86' ' ' VAL . 43.3 tp -60.78 -44.4 96.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -43.46 81.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.94 -38.34 90.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 56' ' ' ASN . 12.6 t -94.8 5.96 50.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -120.81 17.1 9.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -133.62 98.57 4.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.794 0.33 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.53 -52.73 6.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.82 -18.94 62.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 63.58 38.88 9.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -81.24 -13.77 58.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.09 -9.96 47.12 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.485 HH21 ' ND2' ' A' ' 26' ' ' ASN . 2.1 mmm-85 -133.3 164.33 27.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.755 0.312 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.486 HG23 ' HB3' ' A' ' 73' ' ' GLU . 13.5 mt -114.72 131.26 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.4 p -95.43 164.74 12.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -49.04 -55.02 13.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -57.54 -40.38 78.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.486 ' HB3' HG23 ' A' ' 69' ' ' ILE . 4.9 mt-10 -57.01 -63.46 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.19 -56.91 13.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.933 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.723 HG23 HD13 ' A' ' 14' ' ' LEU . 60.7 mt -51.63 -41.66 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -58.88 -43.71 90.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 81' ' ' LEU . 1.7 mp -68.44 -31.8 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -72.82 -34.35 66.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.34 -19.15 25.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.57 -67.86 1.31 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.499 HD12 HG23 ' A' ' 77' ' ' ILE . 76.5 mt -51.64 125.0 13.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.89 0.376 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.0 ptpm? -51.19 -47.29 62.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.3 t -178.31 109.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.462 ' OG1' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -120.04 146.27 46.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.15 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -57.27 -46.84 82.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.53 ' HB ' HD13 ' A' ' 57' ' ' LEU . 25.1 m -53.45 -38.45 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.01 87.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.49 -49.21 67.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.828 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.494 HG21 HD12 ' A' ' 53' ' ' ILE . 93.7 m -57.44 -36.57 71.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.75 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 32.5 t80 -70.48 -61.15 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -52.14 -33.88 42.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -78.12 -61.45 2.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.5 -52.35 47.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.038 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.75 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -57.14 -25.25 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.166 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -94.13 20.06 8.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt 64.71 14.38 9.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ptt? . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.791 0.329 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.22 115.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.05 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -61.1 171.52 1.27 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.2 72.94 0.47 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.521 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -53.22 172.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.381 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.619 HG21 HG21 ' A' ' 75' ' ' ILE . 13.1 t -145.25 117.08 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.188 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.4 m -51.65 154.06 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -51.27 -51.25 55.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.64 -54.23 42.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' HG2' HG13 ' A' ' 6' ' ' VAL . 2.0 tp10 -52.24 -54.85 25.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -63.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 ttm -45.94 -57.04 4.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.49 -44.01 62.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.723 HD13 HG12 ' A' ' 75' ' ' ILE . 59.9 mt -64.88 -43.4 93.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -54.33 -57.1 12.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.96 -37.91 84.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.535 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -55.59 -45.16 77.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 6.1 m-85 -70.66 -48.25 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.59 -22.56 65.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -59.69 5.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.539 HG11 HD22 ' A' ' 37' ' ' LEU . 16.4 m -76.65 -22.04 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -84.87 73.09 10.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -21.99 65.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.04 -11.05 59.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.26 51.63 58.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.529 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.7 p-10 -108.88 -16.15 14.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.938 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.45 17.94 76.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -123.13 146.98 47.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.4 mt -131.09 111.61 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.17 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.6 m -86.67 -175.03 5.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -72.58 -24.61 61.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -69.43 -46.41 66.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.74 -50.65 72.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.483 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 20.3 mt -61.27 -48.98 78.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -59.61 -54.41 46.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -61.69 -29.92 70.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.774 ' CD2' HD12 ' A' ' 94' ' ' ILE . 6.5 tp -68.27 -43.44 77.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.483 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 6.9 m-85 -82.15 -19.14 40.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -79.46 -48.11 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.49 -13.05 61.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.81 -24.32 35.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.0 m 51.88 69.38 0.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.2 mt -119.44 158.51 48.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.676 0.751 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 75.49 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.692 2.261 . . . . 0.0 112.304 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt -153.71 153.74 29.29 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.628 0.728 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -169.75 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.694 2.263 . . . . 0.0 112.346 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.77 -45.64 5.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -57.8 -32.3 67.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.905 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -63.0 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.07 -36.33 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.409 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -69.07 -29.03 67.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -74.82 -48.13 26.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.448 HD12 HG21 ' A' ' 89' ' ' THR . 19.9 pt -63.49 -40.26 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 51' ' ' ARG . 14.7 t -71.58 -37.87 70.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -69.62 -44.86 69.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.577 ' O ' HG22 ' A' ' 60' ' ' THR . 28.5 m-20 -65.62 -42.78 91.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 tt -63.72 -54.78 30.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.59 ' HA ' HD11 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -59.26 -34.35 72.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.989 179.745 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.49 -43.66 59.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.049 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 56' ' ' ASN . 8.5 t -86.2 6.71 28.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -111.92 -18.53 7.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.83 106.43 18.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 0.0 110.82 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.13 -66.26 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.88 -16.13 61.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 63.87 59.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -93.73 -11.7 30.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.11 11.21 30.33 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.426 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -155.95 145.82 21.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.752 0.31 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.59 HD11 ' HA ' ' A' ' 58' ' ' MET . 28.3 mt -104.42 131.96 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.5 p -95.28 164.83 12.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -49.0 -57.33 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -52.92 -45.91 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -55.49 -62.84 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.01 -60.62 3.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.723 HG12 HD13 ' A' ' 14' ' ' LEU . 66.8 mt -49.28 -43.58 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -57.57 -42.19 82.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.485 HG13 HD11 ' A' ' 81' ' ' LEU . 1.4 mp -66.77 -30.58 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -74.95 -34.28 62.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -91.5 -13.17 32.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -106.77 -61.87 0.59 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.448 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.485 HD11 HG13 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -112.96 75.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.54 -9.24 29.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 m -59.87 -19.77 53.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.992 0.425 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.492 ' HB ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -73.99 155.24 38.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.207 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.42 -32.96 48.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.492 HG22 ' HB ' ' A' ' 84' ' ' THR . 10.4 m -50.98 -32.59 11.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.99 -58.28 9.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -60.18 -44.74 94.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.448 HG21 HD12 ' A' ' 53' ' ' ILE . 95.7 m -56.76 -37.32 70.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.729 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 19.4 t80 -70.15 -56.9 5.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -50.61 -37.58 40.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -78.56 -55.61 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.479 ' O ' HD11 ' A' ' 37' ' ' LEU . . . -54.66 -26.26 32.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.057 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.774 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -89.7 -21.86 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -93.71 20.51 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt 63.22 16.07 9.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.734 0.302 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.8 100.31 9.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -82.28 97.82 8.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.42 -26.18 16.45 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.434 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.2 p -55.44 175.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.637 HG21 HG21 ' A' ' 75' ' ' ILE . 21.0 t -145.42 129.82 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t -66.55 169.7 7.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.34 -56.82 13.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.63 -47.02 88.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -60.14 -53.38 58.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.468 ' HA ' HD12 ' A' ' 14' ' ' LEU . 5.0 tpt -52.15 -62.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.8 mtt -46.37 -54.09 9.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -50.39 -44.75 55.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.772 HD13 HG23 ' A' ' 75' ' ' ILE . 5.8 mt -64.02 -46.6 83.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -52.16 -57.53 9.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -60.77 -36.98 80.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.485 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -57.23 -43.32 82.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 5.7 m-85 -75.64 -42.79 50.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.79 -20.19 66.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.064 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -65.61 -60.15 3.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 m -72.5 -19.34 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -80.17 82.29 6.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.85 -21.01 61.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -103.42 -11.2 18.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.07 63.09 5.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -104.98 4.61 31.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.943 0.401 . . . . 0.0 110.946 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.43 13.06 57.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.527 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -132.53 159.22 40.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.933 0.397 . . . . 0.0 110.891 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.2 mt -136.97 126.89 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -104.22 -171.56 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.46 -22.67 37.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -63.62 -60.91 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.39 -45.59 88.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.782 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 10.8 mt -57.17 -57.47 12.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.14 -46.65 62.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.4 -35.61 81.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.427 HD22 ' O ' ' A' ' 37' ' ' LEU . 1.8 tm? -65.55 -53.14 46.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.782 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 13.5 m-85 -63.42 -35.35 80.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -25.24 53.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.08 4.9 31.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.064 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.04 -5.45 26.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.8 m 67.11 46.61 1.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.624 HD22 ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -129.3 124.11 21.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.624 ' HD2' HD22 ' A' ' 43' ' ' LEU . 53.4 Cg_endo -69.79 77.23 1.1 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.583 ' HG ' HD12 ' A' ' 43' ' ' LEU . 20.3 mt -87.55 158.88 50.84 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -7.25 20.57 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.251 . . . . 0.0 112.4 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.93 -59.4 1.02 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -58.32 -32.36 68.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.916 0.388 . . . . 0.0 110.906 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -62.35 1.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.843 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.417 ' O ' HG22 ' A' ' 54' ' ' THR . 2.2 p -57.59 -37.41 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.6 OUTLIER -71.28 -27.82 63.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.31 -43.91 39.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.556 HD12 HG21 ' A' ' 89' ' ' THR . 26.4 pt -66.34 -38.7 82.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 55' ' ' GLU . 9.9 t -73.02 -41.59 64.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.431 ' N ' HG23 ' A' ' 54' ' ' THR . 25.2 mt-10 -64.57 -46.86 80.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.646 ' O ' HG22 ' A' ' 60' ' ' THR . 44.0 m-20 -69.04 -39.54 79.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.578 HD11 ' HE2' ' A' ' 74' ' ' PHE . 28.1 tp -59.33 -44.03 92.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.548 ' SD ' HD12 ' A' ' 34' ' ' LEU . 85.5 mmm -77.51 -30.45 52.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.77 -30.61 64.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 56' ' ' ASN . 11.0 t -103.43 -8.19 20.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -99.37 19.33 54.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -137.35 105.66 5.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.826 0.346 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.4 mp -65.36 -58.25 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -74.04 -16.66 61.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 63.63 59.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -100.79 -17.75 16.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.91 17.59 14.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.488 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.6 mtt85 -147.85 146.93 29.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.448 HG23 ' HB3' ' A' ' 73' ' ' GLU . 10.1 mt -117.89 130.48 72.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.1 t -92.87 165.02 13.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -49.25 -54.48 16.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.89 -41.32 86.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.448 ' HB3' HG23 ' A' ' 69' ' ' ILE . 11.7 mt-10 -56.53 -62.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.578 ' HE2' HD11 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -53.81 -60.02 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.772 HG23 HD13 ' A' ' 14' ' ' LEU . 80.5 mt -49.18 -45.35 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -55.03 -49.41 71.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.1 -34.25 56.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -69.76 -39.22 76.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -82.08 -17.68 45.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.5 -66.84 0.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mt -88.81 83.91 6.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.936 0.398 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -92.54 43.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.7 m -151.54 30.28 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.03 144.81 40.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -35.5 66.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.401 ' CG2' HD13 ' A' ' 57' ' ' LEU . 17.9 m -59.88 -32.95 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.67 -45.47 86.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -68.13 -45.38 73.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.556 HG21 HD12 ' A' ' 53' ' ' ILE . 32.9 m -60.04 -39.73 86.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.663 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 32.2 t80 -69.8 -60.51 2.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -35.33 44.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -77.35 -61.29 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.12 -54.2 22.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.054 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.663 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -56.8 -24.61 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -94.14 21.03 7.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt 64.99 14.21 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 ptt? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.839 0.352 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.65 97.73 8.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.034 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.6 ttm-85 -114.82 137.85 51.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.31 38.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -101.22 -172.43 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.863 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.456 HG11 ' SD ' ' A' ' 11' ' ' MET . 7.2 p -169.55 126.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 76.7 p -65.64 168.87 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -63.42 -56.31 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -57.41 -50.22 73.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.76 -50.88 72.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.456 ' SD ' HG11 ' A' ' 6' ' ' VAL . 10.1 tpt -51.17 -48.33 61.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 11.0 mtt -60.47 -59.4 5.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.803 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -50.63 -31.59 16.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.925 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.71 HD13 HG23 ' A' ' 75' ' ' ILE . 12.6 mt -76.89 -61.55 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -51.74 -36.5 47.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.448 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 16.2 pt-20 -75.73 -35.93 60.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.647 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -63.91 -33.68 76.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -78.49 -51.63 9.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.2 -19.11 62.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -63.8 -59.72 4.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 m -71.07 -22.86 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -59.85 98.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.794 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 p -72.1 -51.19 22.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -80.46 -11.33 59.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.44 58.74 11.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -108.69 -15.33 14.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.43 18.62 54.8 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -126.82 148.52 49.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.876 0.37 . . . . 0.0 110.887 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.573 HG23 ' HB2' ' A' ' 33' ' ' GLU . 27.7 mt -132.59 118.37 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.2 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.411 ' HA ' ' HE1' ' A' ' 58' ' ' MET . 9.7 t -99.05 -172.63 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -65.36 -30.5 71.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -64.39 -53.52 47.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.573 ' HB2' HG23 ' A' ' 29' ' ' ILE . 2.0 mt-10 -59.27 -48.68 80.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.717 HD22 ' HG2' ' A' ' 58' ' ' MET . 0.2 OUTLIER -62.23 -58.22 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -52.31 -45.94 65.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -65.41 -42.9 92.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.451 HD21 ' HA ' ' A' ' 94' ' ' ILE . 2.7 tm? -59.78 -37.81 80.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.542 ' HE1' HD23 ' A' ' 34' ' ' LEU . 17.7 m-85 -77.15 -39.38 49.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -42.24 88.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.05 -24.16 66.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.45 ' CB ' HD23 ' A' ' 43' ' ' LEU . . . -55.78 -31.85 62.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.487 ' C ' HD22 ' A' ' 43' ' ' LEU . 4.0 t 53.77 76.9 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.487 HD22 ' C ' ' A' ' 42' ' ' CYS . 4.5 mm? -119.95 158.89 48.95 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.585 0.707 . . . . 0.0 110.954 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 76.35 1.15 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.707 2.271 . . . . 0.0 112.357 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 45' ' ' LEU . 3.7 pp -155.26 156.65 31.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.692 0.758 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 45' ' ' LEU . 53.0 Cg_endo -69.82 -166.92 0.2 Allowed 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.683 2.255 . . . . 0.0 112.313 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.98 -51.01 3.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.516 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -50.1 -28.01 6.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.89 0.376 . . . . 0.0 110.968 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -63.48 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 p -61.16 -25.64 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.489 ' HA ' HG22 ' A' ' 54' ' ' THR . 22.1 ttp180 -76.64 -33.56 58.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -75.64 -34.86 60.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.466 ' HB ' HG12 ' A' ' 86' ' ' VAL . 18.7 pt -77.14 -36.11 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.208 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.489 HG22 ' HA ' ' A' ' 51' ' ' ARG . 14.5 t -76.31 -36.46 58.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -74.29 -42.37 59.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.651 ' O ' HG22 ' A' ' 60' ' ' THR . 7.4 m-20 -70.44 -40.71 73.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.682 HD23 HD21 ' A' ' 34' ' ' LEU . 19.6 tp -67.44 -48.74 66.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.717 ' HG2' HD22 ' A' ' 34' ' ' LEU . 81.9 mmm -65.15 -37.41 87.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.86 -46.87 76.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 56' ' ' ASN . 12.2 t -88.01 6.3 36.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -103.76 -18.27 14.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -111.1 112.52 24.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.22 -42.24 55.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.26 -18.57 52.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 63.58 43.7 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -92.7 -20.4 20.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.93 21.68 8.86 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -149.39 136.1 19.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.326 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.544 HG23 ' HB3' ' A' ' 73' ' ' GLU . 30.4 mt -108.88 127.94 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.182 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.6 p -92.21 166.33 12.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -49.88 -55.69 13.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -58.44 -39.08 78.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.544 ' HB3' HG23 ' A' ' 69' ' ' ILE . 5.7 mt-10 -57.0 -62.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.668 ' HZ ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -54.21 -58.07 8.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.809 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.71 HG23 HD13 ' A' ' 14' ' ' LEU . 80.9 mt -50.32 -45.94 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -54.63 -48.17 72.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.565 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -62.78 -32.63 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -71.59 -40.13 70.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -83.13 -15.45 50.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.65 -70.88 1.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.565 HD12 HG23 ' A' ' 77' ' ' ILE . 81.3 mt -51.92 153.77 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -80.06 62.11 4.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 p 46.16 70.62 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.1 m -68.92 160.31 31.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.197 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -53.87 -48.25 70.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.481 ' CG2' HD13 ' A' ' 57' ' ' LEU . 22.4 m -55.92 -38.98 54.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.88 -51.53 69.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.069 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -60.53 -47.36 86.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.0 m -59.45 -34.97 73.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.69 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 29.9 t80 -68.58 -60.89 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -52.42 -39.72 61.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -71.38 -63.06 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.27 -55.16 16.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.078 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.69 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -53.31 -26.4 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -83.77 -31.27 26.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -56.49 -24.56 46.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.743 0.306 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.45 85.34 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -123.17 151.14 42.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.65 -19.48 77.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.0 m -60.34 -175.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.389 . . . . 0.0 110.824 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 6' ' ' VAL . 5.2 p -157.59 118.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -55.29 164.63 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -59.29 -56.44 22.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.05 -44.27 94.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -60.5 -50.88 71.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -43.49 77.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.1 mmt -67.39 -55.0 15.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -56.81 -34.12 67.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.738 HD13 HG23 ' A' ' 75' ' ' ILE . 38.1 mt -76.3 -59.07 2.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -51.93 -36.67 50.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 13.9 pt-20 -76.0 -34.34 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.619 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -62.55 -38.28 89.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.529 ' HA ' HD11 ' A' ' 29' ' ' ILE . 3.0 m-85 -75.82 -50.07 16.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.37 -17.2 58.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -68.57 -60.03 2.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.456 HG11 HD22 ' A' ' 37' ' ' LEU . 15.5 m -75.31 -12.86 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.22 97.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.2 p -72.81 -60.71 2.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -74.41 -11.27 60.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.88 36.8 93.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.386 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -82.35 -16.17 50.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.16 5.21 64.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.448 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -122.18 169.41 10.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 110.936 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.529 HD11 ' HA ' ' A' ' 18' ' ' PHE . 49.7 mt -135.5 126.79 45.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -98.68 -171.9 2.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -75.16 -28.3 60.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -66.36 -48.5 70.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.24 -53.47 57.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.622 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 33.7 mt -57.08 -51.53 68.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.956 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.13 -52.66 64.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.96 -29.55 69.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.794 ' CD2' HD12 ' A' ' 94' ' ' ILE . 4.1 tp -70.53 -62.39 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.622 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 5.9 m-85 -57.87 -29.61 65.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -33.49 40.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.7 -21.51 64.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.11 -24.18 38.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.3 m 56.81 24.9 9.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.947 HD11 HD12 ' A' ' 45' ' ' LEU . 1.6 pt? -71.98 154.09 92.63 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.644 0.735 . . . . 0.0 110.929 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 82.01 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.947 HD12 HD11 ' A' ' 43' ' ' LEU . 24.1 mt -154.03 157.23 32.45 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.577 0.703 . . . . 0.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.443 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 52.9 Cg_endo -69.86 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.98 -39.36 3.83 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -57.89 -32.67 67.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.949 0.404 . . . . 0.0 110.983 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.443 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 7.8 tpt180 -65.26 -63.3 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.566 HG23 ' HB2' ' A' ' 38' ' ' PHE . 3.4 p -53.07 -38.69 30.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.441 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -71.02 -29.46 65.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.64 -43.5 47.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.548 HD12 HG21 ' A' ' 89' ' ' THR . 27.6 pt -67.86 -38.33 79.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.441 HG22 ' HA ' ' A' ' 51' ' ' ARG . 14.7 t -73.64 -40.26 63.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.426 ' N ' HG23 ' A' ' 54' ' ' THR . 67.7 mt-10 -66.44 -48.44 69.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.687 ' O ' HG22 ' A' ' 60' ' ' THR . 73.3 m-20 -66.25 -43.17 87.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.414 HD23 HD13 ' A' ' 34' ' ' LEU . 68.3 tp -58.7 -45.62 89.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -40.67 87.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.65 -44.13 87.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 56' ' ' ASN . 14.5 t -89.58 6.4 41.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -116.96 18.75 12.35 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.6 130.12 51.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.747 HD23 ' HG2' ' A' ' 73' ' ' GLU . 4.6 mm? -86.48 -56.96 3.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -102.02 -0.95 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 63.71 33.78 12.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -18.08 62.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.23 -3.22 40.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.22 144.24 40.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.584 HG23 ' HB3' ' A' ' 73' ' ' GLU . 15.7 mt -107.21 119.51 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.27 171.64 13.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.69 -54.78 33.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -55.92 -41.71 74.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.747 ' HG2' HD23 ' A' ' 63' ' ' LEU . 24.3 mt-10 -55.43 -63.32 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.22 -56.36 21.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.738 HG23 HD13 ' A' ' 14' ' ' LEU . 47.2 mt -51.4 -38.73 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.19 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -61.99 -46.84 87.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.495 HG23 HD12 ' A' ' 81' ' ' LEU . 1.7 mp -64.0 -31.52 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -72.63 -40.0 66.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.58 -16.39 45.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -90.91 -84.33 1.41 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.572 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.495 HD12 HG23 ' A' ' 77' ' ' ILE . 43.1 mt -52.73 134.47 36.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -59.89 -173.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.2 m -51.62 103.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.89 169.95 8.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.76 -43.06 31.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.51 -37.25 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.134 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.1 -49.92 74.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -65.36 -46.08 81.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.548 HG21 HD12 ' A' ' 53' ' ' ILE . 93.1 m -59.25 -37.12 76.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.741 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 29.7 t80 -70.43 -60.61 2.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -51.88 -35.49 45.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -76.6 -62.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.56 -52.0 42.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.794 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -57.04 -25.42 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -93.33 19.88 7.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt 65.27 14.46 9.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.83 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.79 151.58 51.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 -66.86 172.87 3.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.68 -26.71 1.89 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 67.16 128.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.885 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.443 HG11 ' HG2' ' A' ' 11' ' ' MET . 4.1 p -178.67 119.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.4 m -58.7 159.61 6.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -50.38 -57.23 8.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -55.25 -58.61 7.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -49.17 -50.59 37.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.443 ' HG2' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -50.9 -63.03 1.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.58 -52.64 6.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -52.12 -56.98 11.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.762 HD23 HG23 ' A' ' 75' ' ' ILE . 2.1 mp -56.66 -42.74 79.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -62.66 1.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.8 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.39 -32.52 68.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -59.05 -43.62 91.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.78 -44.05 51.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.02 -16.77 64.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -65.55 -59.33 4.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.0 m -75.18 -23.51 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.161 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -76.19 88.29 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -46.87 77.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -75.4 -11.17 59.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.12 57.96 16.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -102.73 -14.85 16.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.363 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.51 18.4 58.73 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -127.22 150.1 49.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.357 . . . . 0.0 110.977 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.2 mt -136.1 119.8 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.1 t -97.09 -171.39 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -71.76 -28.82 63.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -69.39 -48.72 60.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.45 -56.72 14.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.803 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 14.7 mt -60.71 -52.69 64.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -50.89 -45.08 60.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -69.47 -37.22 77.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.431 HD22 ' O ' ' A' ' 37' ' ' LEU . 1.8 tm? -64.6 -53.27 50.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.803 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 15.7 m-85 -62.33 -44.36 96.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.965 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -28.82 68.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.2 -26.21 65.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.01 -24.73 40.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 95.8 m 51.58 55.04 9.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.495 HD21 ' HZ1' ' A' ' 97' ' ' LYS . 1.1 mt -100.02 159.32 30.17 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.689 0.757 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.44 ' HD2' HD23 ' A' ' 43' ' ' LEU . 53.5 Cg_endo -69.81 76.27 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 mt -148.07 155.34 43.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.662 0.744 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -168.1 0.26 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -88.84 -48.84 3.76 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -55.62 -30.0 60.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.957 0.408 . . . . 0.0 110.95 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -63.48 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.2 p -58.53 -37.21 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -68.64 -28.62 67.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.52 -47.66 25.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.7 pt -63.67 -38.51 82.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.411 HG22 ' HA ' ' A' ' 51' ' ' ARG . 15.0 t -73.97 -38.19 64.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -68.33 -47.3 67.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.696 ' O ' HG22 ' A' ' 60' ' ' THR . 56.0 m-20 -67.71 -43.84 79.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.417 HD13 ' CG2' ' A' ' 86' ' ' VAL . 27.7 tp -59.91 -45.15 93.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.626 ' SD ' HD12 ' A' ' 34' ' ' LEU . 88.0 mmm -68.46 -38.07 80.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.89 -44.55 76.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.696 HG22 ' O ' ' A' ' 56' ' ' ASN . 13.5 t -90.24 6.42 42.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -109.12 -19.98 8.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.464 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.87 107.27 19.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.805 0.336 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 mt -76.29 -59.29 2.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.69 -18.37 62.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 63.62 53.37 2.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -100.29 -11.81 20.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.86 4.03 42.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.466 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.62 144.14 31.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.757 0.313 . . . . 0.0 110.849 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.3 mt -104.52 133.76 47.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 p -96.27 166.71 11.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -50.91 -53.38 33.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -58.31 -41.42 84.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -57.24 -61.89 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.506 ' HZ ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -53.76 -57.4 11.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.762 HG23 HD23 ' A' ' 14' ' ' LEU . 35.0 mt -52.26 -40.49 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -60.66 -45.03 95.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.474 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -64.9 -32.98 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -70.65 -39.17 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -86.08 -14.97 42.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.46 -84.14 1.45 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.455 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.474 HD12 HG23 ' A' ' 77' ' ' ILE . 36.3 mt -53.95 134.1 43.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.834 0.349 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -55.85 178.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.3 m -51.64 103.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -106.88 171.18 7.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.447 ' H ' HG22 ' A' ' 84' ' ' THR . 0.9 OUTLIER -74.24 -45.77 45.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.417 ' CG2' HD13 ' A' ' 57' ' ' LEU . 21.0 m -59.48 -39.5 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.97 -56.05 17.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -57.26 -51.61 68.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.2 m -56.18 -41.58 75.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.753 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 33.5 t80 -60.29 -58.6 7.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.09 -53.79 30.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -61.33 2.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.53 -57.5 6.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.052 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.753 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -58.61 -20.4 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.12 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -89.07 14.97 9.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm 63.16 16.16 9.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.495 ' HZ1' HD21 ' A' ' 43' ' ' LEU . 13.2 mmmm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.1 mtp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.42 166.66 10.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.146 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 55.71 27.45 10.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.13 132.51 50.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -62.54 -170.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.911 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 6' ' ' VAL . 5.7 p -168.36 120.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.074 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.7 t -58.11 171.41 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -67.15 -56.44 9.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -55.16 -45.0 75.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -68.08 -43.53 78.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.9 tpt -55.53 -42.25 74.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.3 -50.82 17.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.61 -37.11 67.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.753 HD13 HG23 ' A' ' 75' ' ' ILE . 33.3 mt -76.54 -60.64 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -51.26 -37.61 48.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 15.9 pt-20 -75.33 -35.17 61.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.85 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -62.22 -38.03 87.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.432 ' HZ ' HD22 ' A' ' 14' ' ' LEU . 3.5 m-85 -74.8 -51.75 13.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.07 -22.5 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -55.57 27.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.661 ' CG2' HD11 ' A' ' 94' ' ' ILE . 2.7 t -78.3 -10.34 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -65.09 89.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.0 p -73.65 -60.41 2.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -68.84 -11.67 60.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.09 56.49 17.96 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.435 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -107.38 -16.2 14.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.88 3.26 73.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -120.34 168.75 10.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.962 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.3 mt -135.39 135.48 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 m -104.4 -171.23 1.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -75.47 -33.1 60.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -65.42 -51.1 62.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -51.5 -56.22 14.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.778 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 15.0 mt -57.95 -50.16 74.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -51.99 -36.25 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -76.76 -38.72 53.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' C ' HD13 ' A' ' 37' ' ' LEU . 3.1 tm? -65.78 -36.76 84.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.778 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 20.1 m-85 -80.95 -43.62 19.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -37.44 85.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.05 3.45 48.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.06 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.69 -13.81 60.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.8 m 64.2 55.32 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.821 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.5 tp -121.45 137.25 26.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.698 ' O ' HD12 ' A' ' 45' ' ' LEU . 53.7 Cg_endo -69.71 77.21 1.07 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.301 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 44' ' ' PRO . 3.1 mp -140.63 156.51 69.13 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.598 0.713 . . . . 0.0 110.949 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.47 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.237 . . . . 0.0 112.339 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.75 -43.43 6.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.447 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -60.61 -29.37 69.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.858 0.361 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.628 ' HB3' HD23 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -62.74 -62.62 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.509 HG23 ' CB ' ' A' ' 38' ' ' PHE . 7.2 p -59.88 -37.89 73.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.075 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.44 ' HA ' HG22 ' A' ' 54' ' ' THR . 2.5 ttt180 -69.79 -28.12 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -76.26 -44.97 34.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.9 pt -66.74 -37.85 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.44 HG22 ' HA ' ' A' ' 51' ' ' ARG . 14.6 t -74.05 -38.42 63.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -67.49 -45.45 75.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.673 ' O ' HG22 ' A' ' 60' ' ' THR . 65.4 m-20 -70.37 -41.95 72.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.527 HD11 ' HE2' ' A' ' 74' ' ' PHE . 21.4 tp -61.7 -41.23 97.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.594 ' SD ' HD12 ' A' ' 34' ' ' LEU . 87.4 mmm -75.24 -34.52 61.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.821 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.51 -43.13 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 56' ' ' ASN . 9.0 t -90.23 -7.1 54.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -102.38 15.71 55.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.454 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -130.91 107.07 8.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mt -76.47 -53.04 8.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -69.95 -18.31 63.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 62.52 51.91 3.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.96 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -109.44 -18.76 13.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.85 23.22 7.92 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.52 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -144.35 136.12 25.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.798 0.332 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.412 HG23 ' HB3' ' A' ' 73' ' ' GLU . 12.3 mt -110.33 123.99 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -88.03 163.27 16.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.08 -51.47 42.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.62 -40.85 88.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' HB3' HG23 ' A' ' 69' ' ' ILE . 4.6 mt-10 -55.43 -63.15 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.527 ' HE2' HD11 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -54.53 -56.81 15.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.753 HG23 HD13 ' A' ' 14' ' ' LEU . 48.8 mt -52.0 -38.64 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -61.99 -41.83 98.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.614 HG13 HD12 ' A' ' 81' ' ' LEU . 1.7 mp -69.58 -32.58 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -71.09 -40.14 71.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.39 -21.17 30.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -100.2 -77.28 1.28 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.614 HD12 HG13 ' A' ' 77' ' ' ILE . 10.5 mt -77.46 77.95 3.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.915 0.388 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -86.19 179.2 6.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.19 29.62 15.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.51 144.91 30.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.127 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.0 -36.95 75.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 87' ' ' ALA . 30.5 m -68.74 -42.31 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.437 ' N ' HG23 ' A' ' 86' ' ' VAL . . . -61.72 -51.01 70.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -62.59 -51.04 68.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.8 m -59.64 -29.93 68.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.597 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 28.6 t80 -71.9 -61.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 ptt85 -60.01 -24.56 64.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -83.24 -54.59 4.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.57 -54.21 39.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.85 HG21 ' HB1' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -56.69 -23.69 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -68.74 -46.84 67.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -53.68 -40.51 66.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.814 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.784 0.325 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.32 124.77 50.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.57 48.59 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.55 34.35 55.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.431 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.4 m -83.93 174.78 10.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.87 0.367 . . . . 0.0 110.909 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.491 HG21 HG21 ' A' ' 75' ' ' ILE . 11.0 t -144.11 128.65 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 t -69.71 167.63 16.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.68 -56.38 22.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -60.46 -55.88 28.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' HG3' HD11 ' A' ' 14' ' ' LEU . 48.3 tp10 -51.77 -53.41 40.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.466 ' HA ' HD12 ' A' ' 14' ' ' LEU . 8.4 tpt -51.95 -63.27 1.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.815 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.46 -54.26 7.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.84 -45.86 59.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.961 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.83 HD13 HG23 ' A' ' 75' ' ' ILE . 6.6 mt -61.91 -47.99 82.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.13 -60.81 2.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -57.62 -36.36 71.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.421 ' HB1' ' CE2' ' A' ' 90' ' ' PHE . . . -58.05 -43.61 86.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.408 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 5.7 m-85 -75.45 -49.19 19.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.18 -25.23 45.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -61.35 -59.45 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.0 m -77.01 -18.63 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.16 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -71.43 82.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -72.64 -52.43 15.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.06 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -69.7 -11.42 60.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.68 56.05 26.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.514 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -111.07 -14.14 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.37 18.39 71.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -123.22 148.25 46.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.903 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.617 HG21 HD13 ' A' ' 34' ' ' LEU . 66.3 mt -131.13 120.22 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.07 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.443 ' HA ' ' HE1' ' A' ' 58' ' ' MET . 10.2 m -101.5 -171.61 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -71.9 -24.2 61.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -68.5 -49.27 60.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.19 -53.74 53.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.617 HD13 HG21 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -57.45 -51.54 69.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -53.52 57.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -57.64 -30.17 65.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.758 ' CD2' HD12 ' A' ' 94' ' ' ILE . 4.8 tp -71.59 -62.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.444 ' HB2' HG23 ' A' ' 50' ' ' VAL . 7.5 m-85 -62.09 -21.13 64.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.819 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.47 -42.04 15.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.8 -25.36 60.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.75 -23.31 41.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 98.1 m 58.75 82.36 0.14 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.448 HD11 ' HD3' ' A' ' 97' ' ' LYS . 4.6 mp -111.14 159.86 31.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.657 0.741 . . . . 0.0 110.92 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -8.25 23.12 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.337 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mp -73.12 154.34 90.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.648 0.737 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -167.82 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.15 -47.38 6.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -58.71 -31.05 67.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.929 0.395 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -62.42 1.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' A' ' 38' ' ' PHE . 4.0 p -57.37 -39.15 66.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.413 ' HA ' HG22 ' A' ' 54' ' ' THR . 1.0 OUTLIER -68.77 -28.61 66.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.22 -47.66 27.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.545 HD12 HG21 ' A' ' 89' ' ' THR . 22.2 pt -63.72 -39.59 85.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.413 HG22 ' HA ' ' A' ' 51' ' ' ARG . 14.9 t -72.67 -37.84 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -67.65 -49.55 62.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.663 ' O ' HG22 ' A' ' 60' ' ' THR . 46.5 m-20 -66.21 -42.58 88.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.446 HD22 ' HB ' ' A' ' 86' ' ' VAL . 14.5 tp -60.06 -45.5 92.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.575 ' SD ' HD22 ' A' ' 34' ' ' LEU . 85.5 mmm -66.02 -41.53 90.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.89 -44.88 88.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 56' ' ' ASN . 14.4 t -87.01 5.33 37.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.185 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -111.38 -9.01 22.48 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.92 122.3 47.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.5 mt -87.02 -38.75 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -90.68 -10.94 41.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 62.86 20.22 12.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.008 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -68.37 -22.71 64.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.96 17.36 14.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.8 mtp85 -143.92 136.32 26.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.359 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.539 HG23 ' HB3' ' A' ' 73' ' ' GLU . 20.2 mt -108.28 131.86 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.2 t -94.58 166.17 12.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.817 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -49.12 -56.5 8.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.806 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -56.7 -42.06 78.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.539 ' HB3' HG23 ' A' ' 69' ' ' ILE . 9.4 mt-10 -55.78 -63.89 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.66 -59.12 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.83 HG23 HD13 ' A' ' 14' ' ' LEU . 80.1 mt -48.61 -48.46 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HA ' ' CE1' ' A' ' 79' ' ' HIS . 11.5 mmtp -57.43 -38.73 74.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 73' ' ' GLU . 1.6 mp -71.94 -22.31 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -79.36 -43.67 23.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.619 ' CD2' HG22 ' A' ' 75' ' ' ILE . 21.9 p80 -107.56 16.04 24.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -109.97 -15.21 12.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 mp -137.39 156.35 48.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.881 0.372 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -51.71 160.61 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.2 p -52.02 103.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.53 144.73 27.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -51.9 -48.53 64.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.446 ' HB ' HD22 ' A' ' 57' ' ' LEU . 14.2 m -52.83 -43.86 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.413 ' N ' HG23 ' A' ' 86' ' ' VAL . . . -59.81 -56.2 24.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.019 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -54.98 -44.97 74.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.545 HG21 HD12 ' A' ' 53' ' ' ILE . 52.7 m -58.95 -42.07 88.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.688 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 32.7 t80 -62.23 -57.84 9.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.8 -51.45 50.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.898 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.93 -60.93 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -48.57 -57.41 6.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.758 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -56.6 -24.32 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -93.67 23.35 4.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt 59.49 18.51 6.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.448 ' HD3' HD11 ' A' ' 43' ' ' LEU . 21.6 mtmt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.866 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ptt? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.75 0.309 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.72 -175.38 3.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.112 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -170.36 127.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.89 -14.55 80.04 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 p -53.7 173.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.641 HG21 HG21 ' A' ' 75' ' ' ILE . 17.4 t -145.34 115.86 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.129 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.1 t -52.07 165.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -59.95 -56.41 22.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.97 -43.01 91.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.82 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.48 ' HG2' HG13 ' A' ' 6' ' ' VAL . 1.7 tp10 -62.71 -51.28 67.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -43.12 69.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.4 mtp -68.46 -60.83 2.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.78 -31.52 27.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.71 HD13 HG23 ' A' ' 75' ' ' ILE . 29.0 mt -79.21 -60.92 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -51.65 -37.4 50.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 1.6 pp20? -75.43 -37.66 60.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.62 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -59.73 -36.51 76.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.166 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -75.93 -51.92 11.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.812 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.14 -21.17 64.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -59.78 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.2 m -70.27 -22.13 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -64.77 93.14 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.2 p -71.04 -39.63 72.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.255 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -87.98 -11.16 48.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.91 59.75 9.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.553 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -108.1 -15.18 14.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.19 18.54 62.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -126.64 154.78 43.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.849 0.357 . . . . 0.0 110.917 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.8 mt -136.87 126.63 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 p -104.0 -171.62 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -72.26 -27.25 62.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -68.79 -52.22 32.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -51.88 -56.8 11.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.713 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 21.0 mt -59.63 -48.44 81.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -52.7 -51.18 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.75 -30.52 71.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.848 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.789 ' CD2' HD12 ' A' ' 94' ' ' ILE . 4.4 tp -68.34 -61.52 1.81 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.713 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 7.5 m-85 -59.47 -35.85 74.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.005 0.431 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -34.75 69.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.71 65.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.178 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.48 -21.24 51.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.1 m 53.09 84.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -118.69 159.28 44.82 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.62 0.724 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -5.48 16.27 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.729 2.286 . . . . 0.0 112.334 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.493 HD13 ' HB3' ' A' ' 49' ' ' ARG . 3.9 pp -71.38 155.68 92.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.609 0.718 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -170.6 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.65 2.233 . . . . 0.0 112.327 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.72 -49.63 5.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.459 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -52.07 -29.75 22.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.33 . . . . 0.0 110.892 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.493 ' HB3' HD13 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -60.5 -63.63 1.23 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 p -58.28 -36.01 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.409 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.4 OUTLIER -69.38 -29.26 66.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -75.52 -47.2 27.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.0 pt -64.61 -38.91 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 51' ' ' ARG . 14.3 t -72.72 -37.49 67.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.068 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.92 -41.42 87.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.691 ' O ' HG22 ' A' ' 60' ' ' THR . 55.0 m-20 -70.62 -45.16 65.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.432 HD13 HD13 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -59.29 -46.91 87.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.603 ' SD ' HD12 ' A' ' 34' ' ' LEU . 84.5 mmm -68.61 -38.83 80.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.27 87.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.691 HG22 ' O ' ' A' ' 56' ' ' ASN . 12.7 t -90.13 6.25 43.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -106.26 -20.51 9.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.44 108.65 20.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.373 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.91 -40.95 62.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.51 -6.94 23.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.89 51.5 2.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.2 15.62 28.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.79 19.36 65.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.447 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.85 138.33 21.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.0 mt -114.24 129.87 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.4 t -93.94 168.48 10.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.807 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.1 -55.61 14.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -56.46 -43.12 79.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -56.21 -63.06 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -59.16 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.71 HG23 HD13 ' A' ' 14' ' ' LEU . 57.0 mt -50.21 -42.87 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -58.22 -42.62 86.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.617 HG23 HD12 ' A' ' 81' ' ' LEU . 1.5 mp -65.71 -33.95 67.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.476 ' CD1' HD21 ' A' ' 14' ' ' LEU . 2.0 m-85 -69.78 -39.14 76.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -86.24 -15.41 40.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.797 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.65 -84.82 1.59 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.456 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.617 HD12 HG23 ' A' ' 77' ' ' ILE . 42.4 mt -51.03 155.09 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.932 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -60.38 -169.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.7 m -79.55 57.07 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.602 ' OG1' HG22 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -51.71 159.21 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.127 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.84 -32.16 73.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.602 HG22 ' OG1' ' A' ' 84' ' ' THR . 28.4 m -66.25 -36.44 77.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.16 -53.87 38.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -46.41 88.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 95.6 m -59.54 -38.79 81.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.706 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 30.3 t80 -64.01 -60.13 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -52.02 -41.06 61.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -68.55 -62.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.57 -55.43 16.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.789 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -54.25 -26.46 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -81.83 -37.14 27.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -67.31 -31.56 71.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ptt? . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.772 0.32 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.11 106.26 6.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -53.34 107.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.9 35.24 4.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -56.4 177.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.563 HG21 HG21 ' A' ' 75' ' ' ILE . 17.3 t -144.61 129.73 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.7 m -72.08 166.05 23.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.48 -56.57 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -59.16 -57.55 12.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -50.87 -54.15 26.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.427 ' HB2' HG12 ' A' ' 6' ' ' VAL . 2.5 tpt -50.4 -62.39 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -43.12 -53.52 4.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -56.14 14.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.879 HD23 HG23 ' A' ' 75' ' ' ILE . 1.1 mp -56.39 -42.84 78.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -54.25 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.929 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -56.63 -35.23 68.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.506 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -58.22 -43.8 87.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 6.8 m-85 -72.31 -43.33 64.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.35 -16.95 64.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.99 -59.51 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.437 HG12 HD23 ' A' ' 37' ' ' LEU . 14.8 m -74.65 -25.43 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.08 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.44 93.06 0.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.3 t -72.8 -34.79 67.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.177 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -94.29 -11.58 29.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.34 62.45 6.0 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -112.67 7.16 18.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.78 18.8 66.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.449 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -124.64 150.24 46.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.2 mt -136.68 118.88 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.144 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.7 p -96.48 -171.63 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -72.7 -26.33 61.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -68.75 -51.63 39.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.23 -56.56 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.652 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 22.3 mt -59.98 -49.04 79.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.04 -45.86 61.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.15 -29.15 62.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.548 HD13 ' O ' ' A' ' 37' ' ' LEU . 2.7 tm? -68.38 -43.28 77.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.652 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 6.6 m-85 -81.02 -31.54 34.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -54.26 8.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.6 -22.47 56.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.055 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.39 -22.31 41.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.504 ' C ' HD22 ' A' ' 43' ' ' LEU . 24.0 m 56.77 85.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.504 HD22 ' C ' ' A' ' 42' ' ' CYS . 4.5 mm? -120.88 158.94 50.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.695 0.759 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.39 16.08 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.725 2.284 . . . . 0.0 112.365 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.03 151.6 92.75 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.661 0.743 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -168.15 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.712 2.274 . . . . 0.0 112.315 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.5 -49.58 5.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -56.49 -29.92 62.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.925 0.393 . . . . 0.0 110.981 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -62.64 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.479 HG23 ' HB2' ' A' ' 38' ' ' PHE . 3.8 p -58.25 -37.38 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.6 OUTLIER -69.5 -28.46 66.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.0 -45.42 34.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 pt -66.19 -38.08 81.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.427 HG22 ' HA ' ' A' ' 51' ' ' ARG . 14.2 t -73.48 -37.52 65.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -67.03 -47.89 70.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.668 ' O ' HG22 ' A' ' 60' ' ' THR . 62.8 m-20 -68.61 -42.49 78.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.413 HD13 ' CG2' ' A' ' 86' ' ' VAL . 25.5 tp -59.41 -45.34 91.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.57 ' SD ' HD12 ' A' ' 34' ' ' LEU . 83.0 mmm -71.02 -35.86 72.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.14 -37.37 78.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 56' ' ' ASN . 11.6 t -98.87 6.34 46.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.195 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.64 -26.37 7.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -102.15 112.02 24.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.42 HD13 ' HG2' ' A' ' 73' ' ' GLU . 7.5 mp -75.63 -43.99 45.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -85.64 -16.97 37.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 58.5 60.44 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -99.3 -5.11 30.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.09 4.31 38.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.41 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.48 159.61 41.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.331 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.6 mt -112.69 136.1 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.1 t -94.39 161.37 14.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -48.39 -54.0 15.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -54.95 -43.6 73.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' HG2' HD13 ' A' ' 63' ' ' LEU . 2.6 mt-10 -57.34 -63.25 1.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.95 -58.3 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.879 HG23 HD23 ' A' ' 14' ' ' LEU . 54.5 mt -50.79 -44.8 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -55.99 -45.19 79.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.565 HG23 HD13 ' A' ' 81' ' ' LEU . 1.6 mp -63.75 -36.51 76.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.73 -25.49 61.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.87 -11.29 24.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -105.08 -57.95 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.457 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.565 HD13 HG23 ' A' ' 77' ' ' ILE . 6.5 mp -73.87 126.89 31.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -60.44 -168.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.3 t -55.52 99.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -108.66 171.18 7.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.433 ' H ' HG22 ' A' ' 84' ' ' THR . 4.8 m-20 -74.8 -45.28 44.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.413 ' CG2' HD13 ' A' ' 57' ' ' LEU . 27.1 m -65.83 -38.31 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.9 -57.79 7.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.158 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.83 -46.48 81.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.0 m -61.85 -39.23 91.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.73 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 37.2 t80 -68.76 -60.96 2.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -51.51 -38.08 52.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -74.23 -62.28 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.75 -52.92 28.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.73 HD13 ' CZ ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -56.51 -26.42 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.167 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -93.55 20.67 7.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm 64.14 15.0 9.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.741 0.305 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.25 -75.24 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -51.84 116.77 2.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.12 75.61 0.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -54.78 174.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.599 HG21 HG21 ' A' ' 75' ' ' ILE . 19.9 t -145.21 129.93 12.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.0 t -71.24 170.15 13.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.794 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -62.85 -56.57 16.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.08 -47.43 85.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.43 ' HG3' HD11 ' A' ' 14' ' ' LEU . 16.9 tp10 -60.06 -54.63 43.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.546 ' HA ' HD12 ' A' ' 14' ' ' LEU . 8.3 tpt -50.74 -62.15 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.53 -54.4 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -50.86 -42.88 59.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.766 HD13 HG23 ' A' ' 75' ' ' ILE . 5.2 mt -65.04 -47.31 77.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.432 ' HD3' ' HE3' ' A' ' 11' ' ' MET . 13.2 mmm-85 -52.03 -55.15 22.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.78 -34.96 79.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -58.44 -43.16 88.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.063 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.435 ' HA ' HD11 ' A' ' 29' ' ' ILE . 4.8 m-85 -77.04 -44.33 31.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.66 -20.18 66.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -65.06 -59.74 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.3 m -72.43 -8.36 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -74.53 73.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.75 -20.88 61.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.35 -11.12 14.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.08 63.37 4.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -109.64 -0.24 18.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.912 0.387 . . . . 0.0 110.947 -179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.17 18.16 64.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.414 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -137.23 166.48 23.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.819 0.342 . . . . 0.0 110.948 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.435 HD11 ' HA ' ' A' ' 18' ' ' PHE . 69.5 mt -137.07 125.3 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 t -104.22 -171.58 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -81.63 -21.08 38.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -64.63 -60.53 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.78 -46.58 87.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.78 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 12.0 mt -58.88 -54.77 43.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.89 -45.42 64.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -69.71 -31.14 68.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.816 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.777 ' CD2' HD12 ' A' ' 94' ' ' ILE . 4.8 tp -66.85 -55.2 15.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.78 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 8.5 m-30 -66.73 -40.19 88.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -50.87 65.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.29 -8.48 55.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.055 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 38' ' ' PHE . . . -65.35 -21.56 66.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.17 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.9 m 64.76 80.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.621 HD13 ' HB2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -121.17 155.36 58.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.559 0.695 . . . . 0.0 110.972 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -7.0 19.97 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.673 2.249 . . . . 0.0 112.313 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.621 ' HB2' HD13 ' A' ' 43' ' ' LEU . 10.2 mp -72.5 150.92 91.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.589 0.709 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -166.6 0.19 Allowed 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.727 2.284 . . . . 0.0 112.331 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.52 -51.53 5.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -56.15 -28.79 59.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.944 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -62.74 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 38' ' ' PHE . 3.6 p -57.12 -37.23 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.437 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.1 OUTLIER -71.15 -28.69 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -76.08 -42.89 45.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.551 HD12 HG21 ' A' ' 89' ' ' THR . 27.6 pt -68.41 -38.57 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.437 HG22 ' HA ' ' A' ' 51' ' ' ARG . 12.5 t -72.21 -40.37 67.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.418 ' N ' HG23 ' A' ' 54' ' ' THR . 23.8 mt-10 -67.35 -43.56 81.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.666 ' O ' HG22 ' A' ' 60' ' ' THR . 32.5 m-20 -69.61 -39.07 77.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.445 HD13 ' CG2' ' A' ' 86' ' ' VAL . 19.9 tp -63.44 -43.6 96.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.601 ' SD ' HD12 ' A' ' 34' ' ' LEU . 80.2 mmm -73.35 -32.89 64.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.842 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.9 -51.82 20.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.666 HG22 ' O ' ' A' ' 56' ' ' ASN . 7.3 t -78.58 -13.95 59.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.191 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -90.72 -20.81 38.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.542 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -94.03 99.18 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 mp -83.58 -41.1 18.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -76.51 -19.1 58.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 64.0 59.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -114.27 -12.6 12.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.68 3.85 39.99 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.48 173.0 12.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.838 -179.869 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.533 HD11 ' HA ' ' A' ' 58' ' ' MET . 13.2 mt -127.52 136.07 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.9 p -94.17 164.54 13.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -49.56 -54.01 20.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.31 -42.23 90.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' O ' HD13 ' A' ' 77' ' ' ILE . 13.0 mt-10 -55.51 -62.98 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.43 -60.02 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.766 HG23 HD13 ' A' ' 14' ' ' LEU . 69.6 mt -49.63 -44.47 19.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.095 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -56.81 -42.83 80.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.659 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -65.46 -32.23 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -71.85 -39.09 69.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -89.87 -8.62 51.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -109.16 -79.21 1.1 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.659 HD12 HG23 ' A' ' 77' ' ' ILE . 84.2 mt -50.59 128.92 21.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.356 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -51.09 161.47 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.8 p -51.22 113.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.41 ' OG1' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -118.52 157.26 27.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.937 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.66 -32.97 65.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 53' ' ' ILE . 7.5 m -70.78 -32.89 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.18 -49.98 44.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.054 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -42.23 92.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.551 HG21 HD12 ' A' ' 53' ' ' ILE . 99.0 m -63.4 -47.21 82.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.46 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 25.4 t80 -60.51 -57.43 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -51.73 -57.48 9.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -56.36 -58.15 9.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.59 -57.33 7.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.11 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.777 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -59.12 -20.12 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -92.22 17.82 9.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm 64.24 14.73 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.853 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 mmt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.708 0.29 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.22 136.7 48.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 64.4 mtp85 -120.42 65.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.81 40.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m -54.64 174.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.571 HG21 HG21 ' A' ' 75' ' ' ILE . 19.7 t -145.29 109.55 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 m -51.73 166.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.811 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -58.9 -56.26 24.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -58.62 -42.64 88.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.534 ' HG2' HG13 ' A' ' 6' ' ' VAL . 1.3 tp10 -63.61 -45.34 90.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -46.2 85.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 14.2 mtp -69.9 -51.03 36.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.24 -35.75 70.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.702 HD13 HG23 ' A' ' 75' ' ' ILE . 28.6 mt -76.48 -58.8 3.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -53.61 -37.22 62.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 7.8 pt-20 -74.48 -36.32 63.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.662 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -62.11 -37.75 86.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.431 ' HZ ' HD22 ' A' ' 14' ' ' LEU . 3.3 m-85 -73.86 -50.55 19.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.84 -14.07 60.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.163 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -60.03 3.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.2 m -72.65 -16.9 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.858 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -64.33 100.31 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -57.31 4.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -179.849 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -76.78 -11.48 59.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.16 58.28 9.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.467 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.2 p-10 -103.07 -15.75 15.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.823 0.344 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.33 18.58 60.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -129.48 147.81 51.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 110.904 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.2 mt -129.63 123.08 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.177 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.4 m -95.32 -171.79 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -74.88 -26.78 59.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -68.61 -45.37 72.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.16 -43.48 82.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.73 HD21 ' CD2' ' A' ' 57' ' ' LEU . 11.4 tp -62.15 -59.96 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -54.17 -47.57 71.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.8 -44.35 97.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.426 ' C ' HD13 ' A' ' 37' ' ' LEU . 2.8 tm? -58.73 -39.04 79.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.484 ' CB ' HG23 ' A' ' 50' ' ' VAL . 15.3 m-30 -73.75 -34.67 64.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -40.78 68.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.88 -27.11 28.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.457 ' HB1' ' HD3' ' A' ' 97' ' ' LYS . . . -61.1 -18.6 58.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.0 m 53.95 32.11 14.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.805 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.0 mt -57.44 158.5 10.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.721 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 -6.41 18.57 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.739 2.293 . . . . 0.0 112.327 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.645 HD22 ' HG3' ' A' ' 49' ' ' ARG . 28.1 mt -72.22 154.91 92.02 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.643 0.735 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -168.79 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.247 . . . . 0.0 112.321 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.97 -48.14 6.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -58.0 -30.01 65.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.645 ' HG3' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.06 -62.68 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.947 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.484 HG23 ' CB ' ' A' ' 38' ' ' PHE . 4.7 p -58.51 -39.24 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' HA ' HG22 ' A' ' 54' ' ' THR . 32.6 ttp85 -68.39 -28.19 66.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -75.39 -48.32 23.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.549 HD12 HG21 ' A' ' 89' ' ' THR . 21.9 pt -62.84 -39.16 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 51' ' ' ARG . 15.0 t -73.67 -38.04 65.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -64.4 -47.17 80.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.697 ' O ' HG22 ' A' ' 60' ' ' THR . 86.7 m-20 -68.43 -46.33 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.73 ' CD2' HD21 ' A' ' 34' ' ' LEU . 16.2 tp -55.19 -43.55 74.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -44.55 70.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.769 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.66 -38.24 87.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.697 HG22 ' O ' ' A' ' 56' ' ' ASN . 14.5 t -97.03 6.56 48.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.106 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -107.55 -13.76 19.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.509 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -106.73 114.87 29.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.903 0.382 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.59 -63.34 1.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -75.05 -12.99 60.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 63.61 55.19 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.6 p-10 -96.61 -11.91 24.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.1 16.8 29.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -147.42 143.08 27.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.333 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.469 HG23 ' HB3' ' A' ' 73' ' ' GLU . 16.6 mt -113.7 133.02 61.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.8 t -97.43 165.25 12.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -49.94 -54.65 18.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -57.61 -39.7 77.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.469 ' HB3' HG23 ' A' ' 69' ' ' ILE . 4.8 mt-10 -57.61 -63.73 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.442 ' HE1' HD11 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -52.03 -55.85 18.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.914 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.702 HG23 HD13 ' A' ' 14' ' ' LEU . 51.9 mt -54.67 -40.14 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -61.16 -33.71 73.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.76 HG23 HD21 ' A' ' 81' ' ' LEU . 1.6 mp -77.03 -32.2 19.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.604 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.3 m-85 -70.71 -39.76 73.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -95.12 -14.35 24.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.92 -98.85 0.75 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.76 HD21 HG23 ' A' ' 77' ' ' ILE . 2.8 pp -49.32 151.15 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 0.0 110.908 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -54.25 175.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.797 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.7 m -57.32 126.12 25.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.16 146.15 46.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -57.92 -44.49 86.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.6 m -58.72 -32.8 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.03 -47.39 80.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.05 -44.12 90.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.549 HG21 HD12 ' A' ' 53' ' ' ILE . 92.3 m -60.51 -41.02 93.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.233 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.656 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 22.6 t80 -66.66 -59.76 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -52.53 -37.56 57.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -72.71 -62.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.42 -50.85 50.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.662 HG21 ' HB1' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -57.71 -25.14 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.926 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -95.82 22.13 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? 63.48 15.38 8.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.457 ' HD3' ' HB1' ' A' ' 41' ' ' ALA . 18.5 mtmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 119.207 -0.425 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 ptt? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.03 135.98 39.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -107.79 56.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.3 27.22 0.14 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -77.11 -173.17 2.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.948 0.404 . . . . 0.0 110.821 -179.72 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 6' ' ' VAL . 6.0 p -168.01 121.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 m -61.33 173.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -68.06 -56.4 9.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.798 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -54.67 -43.58 72.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -69.54 -47.37 63.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.5 tpt -51.63 -42.82 62.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.5 mtt -73.04 -57.32 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -50.91 -30.92 16.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.836 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.723 HD13 HG23 ' A' ' 75' ' ' ILE . 23.7 mt -79.15 -61.78 1.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -51.23 -37.3 46.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.814 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -75.91 -36.56 59.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.946 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.826 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -60.67 -35.86 77.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.511 ' HZ ' HD22 ' A' ' 14' ' ' LEU . 2.6 m-85 -77.1 -52.35 9.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.11 -27.16 19.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.9 -59.72 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.695 ' CG2' HD11 ' A' ' 94' ' ' ILE . 10.7 t -70.41 -15.27 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.043 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -71.7 79.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 p -73.03 -41.98 63.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -83.32 -11.44 57.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.85 60.27 7.53 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -112.77 -16.01 12.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.863 0.364 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.4 18.9 72.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.534 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -131.0 153.16 49.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 110.942 -179.856 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.8 mt -133.31 132.94 58.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.419 ' HA ' ' HE1' ' A' ' 58' ' ' MET . 1.4 m -104.05 -171.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.6 -36.58 62.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -61.3 -43.54 98.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.402 ' HB3' HG11 ' A' ' 21' ' ' VAL . 5.8 mt-10 -60.78 -56.04 25.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.605 HD12 ' SD ' ' A' ' 58' ' ' MET . 21.4 mt -58.69 -58.81 6.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.968 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -50.71 -36.81 38.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.67 -48.99 67.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.511 HD23 ' CD1' ' A' ' 38' ' ' PHE . 1.1 tt -61.56 -32.24 72.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.511 ' CD1' HD23 ' A' ' 37' ' ' LEU . 12.3 m-85 -82.2 -28.07 32.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.48 -27.28 41.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.44 -24.13 25.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.98 -24.38 38.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 91.0 m 52.05 81.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.963 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.4 mt -117.91 157.48 48.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.615 0.722 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 75.05 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.652 2.234 . . . . 0.0 112.385 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.77 HD13 ' HB3' ' A' ' 49' ' ' ARG . 0.8 OUTLIER -160.59 157.49 23.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 45' ' ' LEU . 54.4 Cg_endo -69.65 -170.87 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 179.798 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.93 -49.4 6.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.534 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -52.46 -27.38 15.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.896 0.379 . . . . 0.0 110.926 -179.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.77 ' HB3' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.66 -63.01 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.485 HG23 ' CB ' ' A' ' 38' ' ' PHE . 3.6 p -59.83 -36.83 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' HA ' HG22 ' A' ' 54' ' ' THR . 2.5 ttt180 -69.68 -28.46 65.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -75.97 -46.09 31.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.0 pt -65.21 -38.41 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 51' ' ' ARG . 15.0 t -73.66 -38.2 65.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -67.49 -48.14 67.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.665 ' O ' HG22 ' A' ' 60' ' ' THR . 44.8 m-20 -67.39 -42.8 82.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.445 HD23 HD13 ' A' ' 34' ' ' LEU . 26.6 tp -60.82 -42.12 97.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.605 ' SD ' HD12 ' A' ' 34' ' ' LEU . 79.5 mmm -69.79 -39.33 76.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.832 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.5 -49.22 64.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 56' ' ' ASN . 13.5 t -80.63 -6.74 58.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.82 -22.4 23.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.85 107.25 18.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.882 0.372 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.91 -54.92 7.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.28 -17.74 62.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 63.91 56.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -106.06 -19.01 13.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.97 22.09 8.57 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -152.46 136.78 16.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.32 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.477 HG23 ' HB3' ' A' ' 73' ' ' GLU . 16.4 mt -109.6 125.44 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 p -92.17 166.32 12.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -49.23 -54.8 14.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -58.44 -38.95 78.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.477 ' HB3' HG23 ' A' ' 69' ' ' ILE . 12.8 mt-10 -59.74 -63.46 1.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.444 ' HZ ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -50.82 -53.83 28.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.895 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.723 HG23 HD13 ' A' ' 14' ' ' LEU . 47.3 mt -57.71 -40.39 75.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -60.62 -31.21 70.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -81.7 -29.77 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -77.75 -27.06 50.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -109.28 -10.59 14.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.68 -12.32 59.55 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.476 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mp -143.03 149.06 37.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -50.84 166.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.94 101.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.98 149.56 22.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -51.76 -48.34 63.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.413 ' CG2' HD13 ' A' ' 57' ' ' LEU . 29.5 m -62.91 -37.36 79.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.134 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.11 -58.53 7.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -57.72 -45.45 85.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.4 m -60.77 -35.29 76.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -68.34 -62.02 1.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.96 -29.91 60.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -75.29 -57.48 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.84 -22.29 64.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.826 HG21 ' HB1' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -93.9 -22.93 5.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.919 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -67.26 -53.44 29.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -52.57 -45.07 66.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.947 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.966 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 tpt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.767 0.318 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.38 -58.16 4.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -100.39 26.55 6.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.8 18.84 56.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.535 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 p -61.84 175.58 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.934 0.397 . . . . 0.0 110.851 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.645 HG21 HG21 ' A' ' 75' ' ' ILE . 21.2 t -145.27 114.6 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -54.84 164.84 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.76 -56.01 27.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -57.95 -58.22 9.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -51.65 -50.02 61.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.4 tpt -51.75 -56.17 15.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -56.41 19.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.61 -34.87 39.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.701 HD13 HG23 ' A' ' 75' ' ' ILE . 11.6 mt -71.81 -60.26 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 1.1 ppt_? -54.79 -35.42 63.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -75.49 -29.99 59.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.923 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.583 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -72.12 -33.86 68.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -77.04 -49.8 14.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.71 -21.17 65.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -65.29 -59.72 3.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.45 HG13 HD11 ' A' ' 94' ' ' ILE . 15.4 m -71.8 -12.12 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -88.83 78.42 7.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.45 -22.57 61.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.49 -11.56 57.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.65 51.79 55.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -106.51 -16.07 14.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.65 2.1 90.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -119.4 166.25 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.902 -179.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.505 HG23 ' HG3' ' A' ' 33' ' ' GLU . 92.1 mt -136.18 132.74 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.157 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.5 p -104.13 -171.71 1.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -81.49 -24.84 36.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -63.93 -60.88 2.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.505 ' HG3' HG23 ' A' ' 29' ' ' ILE . 9.6 pt-20 -62.09 -30.01 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 mt -64.23 -56.71 12.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.507 HD22 HG12 ' A' ' 50' ' ' VAL . 6.6 t-20 -63.3 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -67.2 -38.2 84.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.488 HD22 ' O ' ' A' ' 37' ' ' LEU . 1.8 tm? -67.61 -50.67 56.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -63.31 -37.84 88.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.625 ' HD2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -75.4 -28.69 59.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.94 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.22 -10.34 59.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.16 -24.7 42.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 68.9 m 57.28 55.34 5.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.05 160.21 43.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.551 0.691 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.656 ' O ' HD12 ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.69 75.91 1.15 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.709 2.273 . . . . 0.0 112.355 179.855 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 44' ' ' PRO . 1.3 mp -143.95 151.55 52.91 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.709 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.424 ' HG2' ' HB2' ' A' ' 49' ' ' ARG . 52.7 Cg_endo -69.79 -165.17 0.15 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.744 2.296 . . . . 0.0 112.349 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.45 -44.26 2.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -51.44 -35.23 38.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.889 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.424 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 2.6 tpt85 -61.61 -59.56 5.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.625 HG21 ' HD2' ' A' ' 39' ' ' LYS . 22.5 t -53.48 -49.89 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.162 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -25.83 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -77.28 -52.48 9.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.569 HD12 HG21 ' A' ' 89' ' ' THR . 17.4 pt -59.4 -39.84 80.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 55' ' ' GLU . 14.4 t -71.25 -41.42 70.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.447 ' N ' HG23 ' A' ' 54' ' ' THR . 9.1 mt-10 -60.8 -45.99 92.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.802 ' O ' HG22 ' A' ' 60' ' ' THR . 1.2 m-80 -66.69 -53.61 31.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.456 HD21 ' CE1' ' A' ' 74' ' ' PHE . 27.4 tp -49.96 -41.25 46.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -55.66 12.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.01 -46.1 71.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.802 HG22 ' O ' ' A' ' 56' ' ' ASN . 13.7 t -86.67 6.37 31.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -120.39 13.96 10.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.436 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -129.21 110.07 11.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.27 -48.33 8.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -73.45 -18.81 61.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 63.76 53.28 2.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -112.75 -20.6 11.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.25 23.24 7.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.484 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -144.31 135.81 25.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.833 0.349 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.455 HG23 ' HB3' ' A' ' 73' ' ' GLU . 14.2 mt -109.0 123.78 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.0 t -88.25 165.6 14.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.43 -52.94 33.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -59.34 -40.56 86.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.455 ' HB3' HG23 ' A' ' 69' ' ' ILE . 9.4 mt-10 -56.15 -62.54 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.456 ' CE1' HD21 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -53.86 -58.62 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.923 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.701 HG23 HD13 ' A' ' 14' ' ' LEU . 80.4 mt -50.62 -44.44 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.6 mttp -56.67 -42.12 78.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.946 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -68.17 -32.68 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -70.39 -38.64 74.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -88.34 -15.55 35.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -96.53 -81.31 1.57 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.42 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.946 HD12 HG23 ' A' ' 77' ' ' ILE . 43.2 mt -50.83 154.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.95 0.405 . . . . 0.0 110.926 -179.895 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -60.59 -169.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.4 m -79.98 57.04 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.459 ' OG1' HG22 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -51.65 159.38 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.59 -31.7 71.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 53' ' ' ILE . 12.8 m -67.2 -34.4 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.73 -51.01 62.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.096 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -62.69 -44.07 97.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.569 HG21 HD12 ' A' ' 53' ' ' ILE . 95.5 m -62.17 -37.5 85.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.193 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.437 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 35.0 t80 -66.97 -61.2 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -52.25 -41.59 62.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -69.25 -61.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.76 -55.4 14.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.043 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.583 HG21 ' HB1' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -54.76 -25.86 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.085 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -80.88 -53.51 6.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -58.63 -41.91 87.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 mptt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.841 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.752 0.311 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.453 ' HB3' ' HB3' ' A' ' 5' ' ' SER . . . -106.4 177.04 4.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 179.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 83.3 mtm-85 -108.35 -41.37 4.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.74 12.31 69.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.442 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.453 ' HB3' ' HB3' ' A' ' 2' ' ' ALA . 60.1 p -90.03 -170.16 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.357 . . . . 0.0 110.864 -179.734 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 6' ' ' VAL . 6.4 p -169.01 121.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.1 t -58.93 172.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -66.38 -56.18 12.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -55.31 -45.92 76.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.44 -40.71 85.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.424 ' HE2' ' HB3' ' A' ' 15' ' ' ARG . 8.8 tpt -56.92 -45.34 82.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 32.7 mtp -73.78 -49.92 23.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -36.78 67.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.719 HD13 HG23 ' A' ' 75' ' ' ILE . 26.6 mt -77.11 -60.85 2.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.424 ' HB3' ' HE2' ' A' ' 11' ' ' MET . 1.3 ppt_? -50.56 -37.01 37.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -76.24 -34.97 59.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.695 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -61.62 -36.45 80.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.457 ' HZ ' HD22 ' A' ' 14' ' ' LEU . 2.8 m-85 -77.83 -53.17 7.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.7 -24.4 48.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -59.59 4.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.585 ' CG2' HD11 ' A' ' 94' ' ' ILE . 11.4 t -67.94 -22.68 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -77.22 61.9 2.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -21.24 58.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -91.1 -11.25 39.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.63 60.28 6.77 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -113.11 -15.8 12.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.358 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.61 18.32 78.52 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -131.6 157.94 42.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 -179.782 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.493 HG23 ' HG3' ' A' ' 33' ' ' GLU . 90.7 mt -136.34 121.54 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.8 t -94.26 -171.76 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -81.51 -23.52 37.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -65.54 -61.08 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.493 ' HG3' HG23 ' A' ' 29' ' ' ILE . 9.7 pt-20 -59.15 -32.11 69.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.603 HD22 ' SD ' ' A' ' 58' ' ' MET . 1.1 tp -64.86 -58.05 7.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.466 ' OD1' HG21 ' A' ' 54' ' ' THR . 0.1 OUTLIER -57.41 -37.78 73.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -71.55 -35.71 70.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 37' ' ' LEU . 2.5 tm? -68.12 -40.82 82.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -74.25 -38.98 63.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -71.45 -44.96 63.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.29 -19.35 54.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.45 -26.92 68.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.0 m 65.25 97.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.703 ' N ' HD13 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -133.2 158.47 75.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.97 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -5.88 17.23 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 2.275 . . . . 0.0 112.4 179.832 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.553 ' HB2' HD23 ' A' ' 43' ' ' LEU . 43.6 mt -71.47 153.59 93.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.619 0.724 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -167.31 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.673 2.249 . . . . 0.0 112.3 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.12 -55.44 2.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.46 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -49.94 -36.2 26.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.854 0.359 . . . . 0.0 110.892 -179.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.82 -49.03 76.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.622 ' O ' HG22 ' A' ' 54' ' ' THR . 21.7 t -65.49 -46.66 89.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.048 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -62.35 -24.48 67.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -78.99 -54.85 5.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.424 ' HA ' HG12 ' A' ' 86' ' ' VAL . 18.9 pt -55.53 -38.91 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 50' ' ' VAL . 9.6 t -73.5 -43.26 60.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.444 ' N ' HG23 ' A' ' 54' ' ' THR . 19.6 mt-10 -62.51 -41.12 98.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.696 ' O ' HG22 ' A' ' 60' ' ' THR . 30.0 m-20 -71.36 -44.91 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.86 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.581 HD23 HD21 ' A' ' 34' ' ' LEU . 22.5 tp -57.46 -41.17 80.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.603 ' SD ' HD22 ' A' ' 34' ' ' LEU . 96.2 mmm -74.09 -41.37 61.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.18 96.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.177 179.863 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.696 HG22 ' O ' ' A' ' 56' ' ' ASN . 12.6 t -93.47 6.37 48.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -123.68 18.39 7.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -132.72 98.05 4.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.82 0.343 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.83 -54.92 15.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -73.92 -18.32 60.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 62.26 51.93 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -102.69 -19.14 14.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.03 23.2 7.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -148.24 136.19 20.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.549 HG23 ' HB3' ' A' ' 73' ' ' GLU . 14.5 mt -111.87 128.81 68.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.6 p -91.45 170.0 10.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -51.04 -56.55 11.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -57.9 -40.22 79.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.806 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.549 ' HB3' HG23 ' A' ' 69' ' ' ILE . 25.1 mt-10 -56.87 -62.75 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.827 -179.847 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.485 ' HZ ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -55.28 -56.58 18.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 -179.914 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.719 HG23 HD13 ' A' ' 14' ' ' LEU . 51.0 mt -51.57 -41.78 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.148 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -59.1 -46.24 88.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.727 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -63.34 -32.94 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.079 179.886 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.494 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.0 m-85 -70.82 -40.46 72.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.34 -15.94 48.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.06 -44.7 4.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.419 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.727 HD12 HG23 ' A' ' 77' ' ' ILE . 97.7 mt -90.72 -73.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.872 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.15 33.48 12.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.1 p -151.65 23.19 0.7 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.402 HG23 ' H ' ' A' ' 87' ' ' ALA . 1.7 t -117.69 158.45 24.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.8 -25.14 52.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' A' ' 53' ' ' ILE . 4.1 m -69.35 -32.87 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.182 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.402 ' H ' HG23 ' A' ' 84' ' ' THR . . . -68.08 -51.68 43.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -63.83 -43.89 94.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.0 m -63.33 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.138 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.572 ' CZ ' HD13 ' A' ' 94' ' ' ILE . 25.9 t80 -65.37 -58.73 5.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -53.06 -45.74 68.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -66.33 -60.13 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.0 -55.97 12.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.695 HG21 ' HB1' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -55.5 -23.12 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -83.86 -63.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -55.22 -45.19 75.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.827 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptp . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.748 0.308 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.39 135.05 33.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.031 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -70.37 155.08 41.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.65 20.79 5.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.456 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.11 175.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.946 0.403 . . . . 0.0 110.837 -179.706 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.67 HG21 HG21 ' A' ' 75' ' ' ILE . 21.5 t -145.26 125.17 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 m -62.33 167.63 4.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.25 -56.22 24.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.18 -55.81 29.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -54.38 -52.71 60.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.1 tpt -51.26 -43.46 61.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 30.8 mtp -66.99 -60.55 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.18 -34.15 30.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.713 HD13 HG23 ' A' ' 75' ' ' ILE . 37.6 mt -76.17 -60.93 2.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -51.16 -36.58 41.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 19.3 pt-20 -76.75 -34.97 58.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.64 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -61.51 -37.11 82.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.548 ' HA ' HD11 ' A' ' 29' ' ' ILE . 2.4 m-85 -78.05 -51.19 10.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.67 -22.67 57.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -63.91 -60.19 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 m -68.96 -12.47 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.843 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -74.12 75.32 1.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.3 m -72.3 -26.4 61.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -95.31 -10.63 29.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.48 63.01 5.37 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.468 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -112.17 -15.95 13.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.36 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.21 18.47 69.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -136.17 164.89 27.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.548 HD11 ' HA ' ' A' ' 18' ' ' PHE . 89.9 mt -137.07 123.05 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.8 t -97.45 -171.4 2.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -81.06 -23.84 38.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -63.5 -60.79 2.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.481 ' HG3' HG23 ' A' ' 29' ' ' ILE . 8.2 pt-20 -60.33 -34.89 74.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.648 HD21 HD23 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -65.21 -62.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.928 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -52.15 -42.6 63.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.46 -39.85 85.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.814 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' C ' HD13 ' A' ' 37' ' ' LEU . 2.7 tm? -62.93 -37.4 86.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -77.15 -35.05 56.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -48.2 51.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.965 179.892 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.76 -29.9 20.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.778 ' HB1' ' HE2' ' A' ' 97' ' ' LYS . . . -56.07 -24.87 42.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.9 t 59.26 66.47 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.427 ' HG ' ' HZ3' ' A' ' 97' ' ' LYS . 20.6 mt -94.54 158.98 34.63 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.623 0.725 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -7.11 20.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.489 HD22 ' HE ' ' A' ' 49' ' ' ARG . 41.8 mt -72.58 153.01 91.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.512 0.672 . . . . 0.0 110.978 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -169.27 0.32 Allowed 'Trans proline' 0 C--N 1.34 0.105 0 C-N-CA 122.676 2.251 . . . . 0.0 112.309 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.15 -54.03 5.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.503 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -53.66 -27.32 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 110.943 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.489 ' HE ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -62.34 -62.78 1.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 p -59.59 -36.58 65.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.164 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HA ' HG22 ' A' ' 54' ' ' THR . 9.0 tpp180 -70.32 -28.26 65.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -76.14 -44.47 38.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.419 HD12 HG21 ' A' ' 89' ' ' THR . 25.5 pt -67.07 -38.01 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 51' ' ' ARG . 14.8 t -73.45 -38.31 65.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.069 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -67.67 -46.51 72.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.672 ' O ' HG22 ' A' ' 60' ' ' THR . 56.2 m-20 -68.46 -42.91 78.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.648 HD23 HD21 ' A' ' 34' ' ' LEU . 30.4 tp -60.27 -45.65 92.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.564 ' HG2' HD22 ' A' ' 34' ' ' LEU . 85.4 mmm -68.77 -39.07 80.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.74 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.22 80.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 56' ' ' ASN . 10.2 t -89.8 5.43 46.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.125 -179.879 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -115.0 25.84 9.73 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -135.0 138.59 44.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.705 HD23 ' HG2' ' A' ' 73' ' ' GLU . 4.0 mm? -85.93 -43.03 13.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -108.04 -1.06 20.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 63.51 20.62 12.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -60.28 -20.45 59.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.15 -1.51 40.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 53.9 mtt-85 -121.55 135.92 54.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.725 0.297 . . . . 0.0 110.934 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.567 HG23 ' HB3' ' A' ' 73' ' ' GLU . 18.8 mt -111.25 125.7 68.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.3 t -92.09 169.06 10.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -50.2 -56.57 10.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.36 -40.58 78.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.97 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.705 ' HG2' HD23 ' A' ' 63' ' ' LEU . 10.0 mt-10 -55.95 -62.97 1.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.821 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.95 -56.78 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 -179.902 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.713 HG23 HD13 ' A' ' 14' ' ' LEU . 37.7 mt -50.86 -40.2 19.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -60.58 -49.99 75.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.73 HG23 HD12 ' A' ' 81' ' ' LEU . 1.7 mp -59.71 -32.4 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.153 179.835 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.468 ' CD1' HD21 ' A' ' 14' ' ' LEU . 2.2 m-85 -71.87 -40.71 68.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -80.58 -17.17 52.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.12 -80.75 1.47 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.73 HD12 HG23 ' A' ' 77' ' ' ILE . 50.7 mt -51.49 137.53 23.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -60.4 -171.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.821 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.5 p -61.73 95.23 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.97 164.33 11.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.149 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.87 -34.91 64.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.511 ' CG2' HD13 ' A' ' 57' ' ' LEU . 27.8 m -67.08 -37.87 80.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.16 -48.35 62.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -65.12 -37.37 87.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.419 HG21 HD12 ' A' ' 53' ' ' ILE . 63.3 m -67.01 -42.79 84.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.614 ' CE1' HD13 ' A' ' 94' ' ' ILE . 20.4 t80 -65.05 -58.15 6.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -52.39 -46.54 66.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -66.41 -61.52 1.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.01 -56.29 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.64 HG21 ' HB1' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -55.91 -24.45 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -95.16 22.87 6.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt 58.86 19.43 7.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.778 ' HE2' ' HB1' ' A' ' 41' ' ' ALA . 35.6 mttt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.526 0.021 0 CA-C-O 120.783 0.325 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.33 -179.18 6.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.031 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -150.53 153.3 35.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 -179.907 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.84 64.81 0.33 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -67.46 90.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.94 0.4 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.692 HG12 ' HG2' ' A' ' 10' ' ' GLU . 2.1 m -49.62 118.23 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 63.1 m -57.98 173.31 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.71 -49.82 64.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -60.83 -58.96 6.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.692 ' HG2' HG12 ' A' ' 6' ' ' VAL . 1.9 tp10 -51.54 -55.54 18.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -42.85 55.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 mtt -68.08 -61.49 1.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.68 -32.19 18.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.714 HD13 HG23 ' A' ' 75' ' ' ILE . 41.8 mt -79.3 -62.03 1.82 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -50.4 -37.15 36.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 2.2 pp20? -76.14 -37.6 57.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.538 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -58.76 -36.38 74.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.918 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -78.27 -50.64 11.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.73 -22.27 57.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -62.91 -60.17 3.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.2 m -70.51 -17.47 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.193 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -61.48 95.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.2 p -72.73 -52.08 16.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 -179.854 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -80.05 -11.17 59.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.3 58.41 11.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 -179.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.1 p-10 -112.45 -15.64 13.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.64 18.51 54.62 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -121.95 152.81 39.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.883 0.373 . . . . 0.0 110.933 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.7 mt -136.99 118.73 18.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.429 ' HA ' ' HE1' ' A' ' 58' ' ' MET . 5.6 t -103.19 -172.36 2.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -67.18 -24.02 65.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -68.01 -57.18 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 -179.843 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.16 -45.48 87.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.718 HD21 HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -61.07 -62.68 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.855 -179.974 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.12 -37.85 48.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -71.96 -33.24 68.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.463 ' HG ' HD12 ' A' ' 94' ' ' ILE . 3.0 tm? -72.4 -41.41 66.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.916 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -76.56 -31.83 57.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -77.19 -50.32 13.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.08 -30.49 36.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.087 179.781 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.06 -21.65 46.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 93.5 m 55.39 54.6 8.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.2 mt -78.47 158.39 76.37 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.595 0.712 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -6.83 19.51 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mp -72.49 153.48 91.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.596 0.712 . . . . 0.0 110.937 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -166.95 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.377 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.33 -49.78 5.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -56.84 -31.28 64.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.929 0.395 . . . . 0.0 110.938 -179.82 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -62.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.56 -35.88 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.425 ' HA ' HG22 ' A' ' 54' ' ' THR . 1.3 ttt85 -70.46 -28.54 65.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.41 -44.76 34.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.44 HD12 HG21 ' A' ' 89' ' ' THR . 26.4 pt -66.67 -37.68 80.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 51' ' ' ARG . 15.2 t -74.03 -39.75 63.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.418 ' N ' HG23 ' A' ' 54' ' ' THR . 38.4 mt-10 -66.57 -47.11 73.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.801 -179.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.695 ' O ' HG22 ' A' ' 60' ' ' THR . 65.5 m-20 -68.18 -43.58 77.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.718 HD23 HD21 ' A' ' 34' ' ' LEU . 25.0 tp -57.71 -48.7 78.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.609 ' SD ' HD22 ' A' ' 34' ' ' LEU . 93.7 mmm -66.07 -41.01 91.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.756 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.37 -45.06 92.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.079 179.907 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.695 HG22 ' O ' ' A' ' 56' ' ' ASN . 14.6 t -89.36 6.21 41.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -117.44 13.65 13.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -121.1 125.16 46.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.89 0.376 . . . . 0.0 110.837 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.498 HD12 ' HG2' ' A' ' 73' ' ' GLU . 6.9 mt -82.85 -60.93 2.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -93.9 -5.97 46.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 60.38 49.43 6.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -81.66 -14.41 56.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.1 15.39 19.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.883 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -156.04 152.22 27.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.598 HG23 ' HB3' ' A' ' 73' ' ' GLU . 21.2 mt -117.45 130.18 72.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.6 p -92.82 173.69 7.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.98 -57.83 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -54.59 -40.99 69.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.598 ' HB3' HG23 ' A' ' 69' ' ' ILE . 31.6 mt-10 -56.18 -62.65 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.584 ' HZ ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -56.23 -56.04 25.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.714 HG23 HD13 ' A' ' 14' ' ' LEU . 52.9 mt -51.27 -41.91 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -60.21 -48.21 82.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.47 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -61.12 -32.48 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.482 ' CD2' HD21 ' A' ' 14' ' ' LEU . 1.9 m-85 -70.44 -41.03 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.903 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.69 -10.45 55.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -96.56 -53.83 1.4 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.509 HD13 ' OG1' ' A' ' 84' ' ' THR . 34.2 mt -64.67 163.57 13.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -91.09 60.79 4.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 m 51.7 51.43 16.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.509 ' OG1' HD13 ' A' ' 81' ' ' LEU . 3.0 m -56.54 161.02 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -44.63 82.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.427 ' CG2' HD13 ' A' ' 57' ' ' LEU . 27.5 m -56.61 -37.32 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 -179.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.41 -57.99 8.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -57.48 -39.02 75.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.44 HG21 HD12 ' A' ' 53' ' ' ILE . 94.7 m -64.76 -38.66 91.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.66 ' CE2' HD13 ' A' ' 94' ' ' ILE . 24.6 t80 -66.52 -59.95 3.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.777 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -51.98 -43.38 63.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -68.74 -62.85 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.39 -56.96 7.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.66 HD13 ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -55.41 -26.9 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.934 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -80.77 -28.43 36.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -68.67 -30.76 69.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.894 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.835 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.694 0.283 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.72 177.85 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -109.81 -44.33 3.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.72 48.44 1.84 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 m -61.0 -171.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.824 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.477 HG11 ' SD ' ' A' ' 11' ' ' MET . 8.1 p -160.24 127.4 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.0 m -67.56 171.33 6.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -66.09 -56.36 11.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.803 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.06 -45.7 83.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.01 -50.78 64.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.477 ' SD ' HG11 ' A' ' 6' ' ' VAL . 9.8 tpt -51.71 -43.62 62.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.0 mtp -66.89 -61.21 2.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -50.79 -33.69 24.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.706 HD13 HG23 ' A' ' 75' ' ' ILE . 31.3 mt -76.7 -61.07 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -50.85 -36.18 36.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 179.974 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 8.9 pt-20 -77.3 -34.9 55.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.562 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -61.1 -35.95 78.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.704 ' HA ' HD11 ' A' ' 29' ' ' ILE . 2.0 m-85 -80.18 -51.43 8.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.882 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.2 -23.51 48.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -59.61 4.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.655 ' CG2' HD11 ' A' ' 94' ' ' ILE . 5.4 t -71.05 -16.72 19.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -74.14 71.42 1.65 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.92 -29.31 63.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 -179.886 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -85.16 -11.64 54.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.95 59.58 6.87 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 -112.29 -16.4 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.96 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.87 5.85 84.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -123.79 166.28 15.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.894 0.378 . . . . 0.0 110.96 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.704 HD11 ' HA ' ' A' ' 18' ' ' PHE . 88.3 mt -136.69 113.58 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.2 t -87.55 -171.39 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -80.05 -33.43 39.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -53.56 -60.49 3.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.452 ' HG3' HG23 ' A' ' 29' ' ' ILE . 7.3 pt-20 -59.66 -47.57 85.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.7 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 tp -52.79 -62.23 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -53.22 -39.28 63.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.08 -39.33 93.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.445 HD23 ' CD2' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -68.95 -46.65 67.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.978 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.445 ' CD2' HD23 ' A' ' 37' ' ' LEU . 17.0 m-30 -66.07 -31.11 71.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -25.64 28.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.18 3.57 42.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.78 -11.85 49.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.2 m 64.98 55.86 1.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.0 mt -133.39 140.8 38.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.662 0.744 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 90.98 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.709 2.273 . . . . 0.0 112.378 179.832 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.535 HD13 ' HB ' ' A' ' 50' ' ' VAL . 18.5 mt -114.58 150.2 43.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.949 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -7.66 21.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.737 2.291 . . . . 0.0 112.35 179.853 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.75 -58.28 1.09 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.507 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -58.59 -32.39 68.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -61.89 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.535 ' HB ' HD13 ' A' ' 45' ' ' LEU . 2.3 p -55.96 -36.5 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.406 ' HA ' HG22 ' A' ' 54' ' ' THR . 22.2 ttp180 -71.04 -28.81 64.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 -179.907 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -75.08 -45.26 42.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.414 HG13 ' N ' ' A' ' 54' ' ' THR . 23.7 pt -65.18 -40.43 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.2 179.91 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.414 ' N ' HG13 ' A' ' 53' ' ' ILE . 12.1 t -70.92 -39.82 72.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.406 ' N ' HG23 ' A' ' 54' ' ' THR . 48.8 mt-10 -68.34 -41.33 80.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.675 ' O ' HG22 ' A' ' 60' ' ' THR . 61.0 m-20 -68.92 -43.82 74.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.7 HD13 HD21 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -61.72 -46.3 90.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.643 ' SD ' HD22 ' A' ' 34' ' ' LEU . 83.8 mmm -71.27 -30.48 66.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.799 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.07 -40.3 62.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 56' ' ' ASN . 12.5 t -94.67 6.19 49.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.833 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -114.58 1.5 23.41 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.529 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -107.0 108.0 19.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.885 0.374 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.25 -59.6 2.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.26 -11.75 61.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.811 179.824 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 63.57 49.21 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -100.13 -15.81 18.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.92 -17.25 45.48 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.554 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.49 151.85 37.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.808 -179.799 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.604 HG23 ' HB3' ' A' ' 73' ' ' GLU . 19.4 mt -113.26 120.91 64.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 p -82.22 170.8 15.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.808 -179.835 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -49.81 -59.39 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -55.16 -42.48 73.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.604 ' HB3' HG23 ' A' ' 69' ' ' ILE . 33.2 mt-10 -56.53 -62.9 1.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.527 ' HZ ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -54.98 -57.49 11.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.905 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.706 HG23 HD13 ' A' ' 14' ' ' LEU . 53.4 mt -50.78 -41.67 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -59.15 -47.09 86.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.721 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -61.94 -33.8 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.069 179.872 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.589 ' CD1' HD21 ' A' ' 14' ' ' LEU . 2.0 m-85 -70.59 -40.74 73.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.58 -20.98 45.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.79 -19.12 35.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.529 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.721 HD12 HG23 ' A' ' 77' ' ' ILE . 7.5 mt -137.78 84.98 2.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.953 -179.884 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -95.02 28.21 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 179.854 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 m -140.79 28.13 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.11 144.89 39.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.78 -35.82 67.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.1 m -57.03 -38.11 58.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.02 -56.76 12.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -55.16 -47.82 74.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.3 m -58.87 -41.32 86.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.507 ' CE2' HD13 ' A' ' 94' ' ' ILE . 30.4 t80 -60.21 -60.72 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -51.37 -46.23 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -62.4 -63.08 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.54 -54.98 15.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.058 179.821 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.655 HD11 ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -57.45 -24.82 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -93.94 20.68 7.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt 61.46 17.66 8.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.891 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptt? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.24 56.76 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -102.28 132.04 48.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.34 15.48 57.56 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 p -74.95 -177.21 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.419 HG22 ' HB2' ' A' ' 11' ' ' MET . 7.5 p -158.46 123.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.7 p -65.05 165.55 10.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.796 -179.809 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.31 -56.37 22.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -53.61 -58.46 7.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.04 -48.97 72.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.419 ' HB2' HG22 ' A' ' 6' ' ' VAL . 9.5 tpt -50.95 -42.91 60.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.7 mtt -68.17 -61.31 1.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -50.82 -31.79 18.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.738 HD13 HG23 ' A' ' 75' ' ' ILE . 21.9 mt -79.17 -61.05 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -51.36 -37.4 47.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 1.8 pp20? -75.49 -37.64 60.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.718 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -59.76 -36.94 77.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.534 ' HZ ' HD22 ' A' ' 14' ' ' LEU . 2.9 m-85 -75.25 -52.0 11.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.34 -24.16 53.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -60.3 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.548 HG13 HD11 ' A' ' 94' ' ' ILE . 7.6 m -68.34 -12.32 15.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -74.59 74.52 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.75 -23.51 60.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.184 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -100.35 -11.25 20.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.85 56.74 17.05 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -101.95 -16.05 16.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.896 0.379 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.25 18.52 68.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -142.5 171.85 13.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.941 -179.8 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.431 HG23 ' HG3' ' A' ' 33' ' ' GLU . 78.3 mt -134.29 129.91 53.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 82.0 p -104.11 -172.69 2.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -81.34 -22.19 38.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -63.96 -60.33 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 -179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.431 ' HG3' HG23 ' A' ' 29' ' ' ILE . 5.7 pt-20 -62.08 -36.65 82.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.526 HD12 ' HG2' ' A' ' 58' ' ' MET . 10.4 mt -59.31 -59.99 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -58.7 -51.79 68.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.952 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -56.11 -33.48 65.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.767 ' CD2' HD12 ' A' ' 94' ' ' ILE . 8.3 tp -68.88 -62.51 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -58.69 -25.32 62.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -37.56 26.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.24 -32.9 73.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.421 ' HB1' ' NZ ' ' A' ' 97' ' ' LYS . . . -55.76 -24.68 36.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.7 t 65.8 30.5 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.574 HD13 ' HB2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -50.38 156.98 1.31 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.631 0.729 . . . . 0.0 110.924 -179.889 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -8.47 23.67 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.356 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.574 ' HB2' HD13 ' A' ' 43' ' ' LEU . 8.7 mp -72.74 152.86 91.4 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.56 0.695 . . . . 0.0 110.942 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -165.37 0.15 Allowed 'Trans proline' 0 N--CA 1.466 -0.125 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 179.838 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.79 -51.86 5.28 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -56.32 -30.12 62.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -62.96 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 p -56.01 -35.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.073 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.426 ' HA ' HG22 ' A' ' 54' ' ' THR . 19.4 ttp180 -70.5 -29.28 65.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.11 -45.18 42.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.406 HG13 ' N ' ' A' ' 54' ' ' THR . 23.9 pt -66.39 -39.99 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.426 HG22 ' HA ' ' A' ' 51' ' ' ARG . 15.2 t -71.3 -39.56 71.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.416 ' N ' HG23 ' A' ' 54' ' ' THR . 52.4 mt-10 -66.31 -43.85 85.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.705 ' O ' HG22 ' A' ' 60' ' ' THR . 70.6 m-20 -67.33 -45.84 75.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.971 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.07 -43.19 91.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.526 ' HG2' HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -67.1 -42.39 84.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.4 -53.9 36.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 56' ' ' ASN . 14.1 t -76.13 -4.81 43.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.915 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -99.98 -20.1 17.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -94.76 108.28 20.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.796 HD13 ' HG2' ' A' ' 73' ' ' GLU . 7.9 mp -81.02 -55.4 4.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.61 -14.83 62.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 63.79 33.87 12.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 p30 -86.42 -13.07 47.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.93 23.36 10.78 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.529 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -155.82 143.6 19.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' A' ' 58' ' ' MET . 11.8 mt -105.98 135.18 45.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.46 164.03 12.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.854 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -49.08 -53.52 20.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.38 -41.56 80.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.796 ' HG2' HD13 ' A' ' 63' ' ' LEU . 4.5 mt-10 -56.7 -63.52 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.29 -58.06 7.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.738 HG23 HD13 ' A' ' 14' ' ' LEU . 72.8 mt -51.43 -45.79 34.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -56.82 -35.8 69.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.1 mp -74.51 -32.14 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.166 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -78.53 -23.0 46.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.97 -30.71 12.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.24 -56.43 1.69 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.84 72.32 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.92 0.391 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.52 9.54 20.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.797 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.5 t -94.15 23.78 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.54 145.33 40.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 -179.904 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -71.06 -37.7 72.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.4 m -52.87 -35.09 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.61 -62.82 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -53.74 -45.61 70.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.1 m -60.44 -38.81 85.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.214 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -62.63 -61.58 2.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -28.99 65.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.947 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -73.4 -49.44 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.74 -17.85 62.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.767 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -94.65 -21.12 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -90.42 16.25 9.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.4 mttp 63.45 15.69 8.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.421 ' NZ ' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.807 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.824 0.345 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.8 -71.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -52.52 108.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.75 49.13 2.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.527 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -61.39 -169.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.719 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.503 HG11 ' SD ' ' A' ' 11' ' ' MET . 7.6 p -167.0 126.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.082 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 m -65.48 167.35 8.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -65.38 -56.53 12.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -56.72 -47.11 80.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.898 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -63.64 -51.56 64.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.503 ' SD ' HG11 ' A' ' 6' ' ' VAL . 9.8 tpt -51.08 -41.53 60.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 45.9 mtp -66.98 -59.05 3.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.37 -34.69 58.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -75.43 -59.84 2.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -52.37 -37.32 55.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.92 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 19.1 pt-20 -75.01 -34.48 61.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.694 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -63.13 -38.27 90.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.066 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.405 ' HA ' HD11 ' A' ' 29' ' ' ILE . 4.8 m-85 -73.71 -48.79 29.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.46 -14.4 62.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -60.69 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.0 m -70.47 -17.96 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -73.29 77.07 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 t -59.48 -33.16 70.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.2 -11.24 38.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.35 58.99 11.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -103.24 -15.85 15.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.958 0.408 . . . . 0.0 110.932 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.81 18.28 65.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.428 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -136.45 144.92 44.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 0.0 110.931 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.405 HD11 ' HA ' ' A' ' 18' ' ' PHE . 35.0 mt -120.83 131.79 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.8 m -102.25 -171.83 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -74.81 -29.72 61.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -67.1 -48.58 67.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.36 -54.12 50.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.552 HD22 ' HZ ' ' A' ' 38' ' ' PHE . 26.8 mt -57.54 -51.88 67.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.08 -53.67 54.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.68 -30.96 70.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.802 ' CD2' HD12 ' A' ' 94' ' ' ILE . 4.5 tp -68.74 -41.78 78.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.552 ' HZ ' HD22 ' A' ' 34' ' ' LEU . 5.9 m-85 -81.41 -19.48 42.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.28 -41.7 18.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.3 -27.03 68.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.052 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.11 -24.42 40.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.164 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 t 54.97 38.84 31.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.885 HD11 HD12 ' A' ' 45' ' ' LEU . 1.6 pt? -73.63 154.26 89.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.739 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 76.9 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.639 2.226 . . . . 0.0 112.331 179.843 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.885 HD12 HD11 ' A' ' 43' ' ' LEU . 58.4 mt -155.48 155.72 30.07 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.634 0.73 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -169.19 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.42 -47.92 5.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -57.18 -31.07 65.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -62.93 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.47 HG23 ' HB2' ' A' ' 38' ' ' PHE . 4.1 p -57.96 -37.24 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.423 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.5 OUTLIER -69.44 -28.34 66.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.89 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.55 -46.55 31.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.648 HD12 HG21 ' A' ' 89' ' ' THR . 22.5 pt -65.02 -39.49 85.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 51' ' ' ARG . 15.2 t -72.19 -39.44 68.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.409 ' N ' HG23 ' A' ' 54' ' ' THR . 41.9 mt-10 -65.51 -51.0 63.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.69 ' O ' HG22 ' A' ' 60' ' ' THR . 32.1 m-20 -65.23 -39.23 92.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.844 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.433 HD13 ' CG2' ' A' ' 86' ' ' VAL . 59.5 tp -63.03 -39.71 95.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -40.84 72.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.812 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.04 -42.98 88.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 56' ' ' ASN . 12.0 t -92.79 6.13 48.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.161 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.49 -25.36 8.24 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.424 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -96.59 110.26 22.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.76 -51.3 35.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -82.7 -17.64 43.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 64.34 60.55 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -104.93 -7.32 19.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.98 16.34 17.16 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.424 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -155.81 168.46 27.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.1 mt -126.18 131.51 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 t -94.71 165.47 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.71 -53.94 27.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -59.68 -40.62 88.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -55.22 -62.1 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.414 ' HZ ' HD21 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -55.86 -57.82 10.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 -179.943 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.572 ' HA ' HD12 ' A' ' 14' ' ' LEU . 26.3 mt -50.73 -40.57 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -60.51 -46.33 90.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.786 HG23 HD12 ' A' ' 81' ' ' LEU . 1.6 mp -63.03 -31.02 51.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -72.91 -39.7 66.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -86.58 -10.91 52.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.521 ' O ' HD23 ' A' ' 81' ' ' LEU . . . -107.19 -13.44 21.24 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.786 HD12 HG23 ' A' ' 77' ' ' ILE . 10.5 mt -143.38 80.06 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 110.911 -179.885 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -93.04 44.92 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t -155.22 34.5 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.16 144.72 47.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 -179.899 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.77 -38.15 73.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.433 ' CG2' HD13 ' A' ' 57' ' ' LEU . 27.8 m -59.06 -34.01 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.35 -61.44 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -56.7 -39.93 74.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.648 HG21 HD12 ' A' ' 53' ' ' ILE . 96.5 m -60.43 -42.81 96.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.681 ' CE2' HD13 ' A' ' 94' ' ' ILE . 24.6 t80 -66.39 -60.23 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -51.35 -43.7 61.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -69.15 -63.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -48.95 -56.87 7.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.802 HD12 ' CD2' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.7 -24.55 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.135 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -83.94 -39.09 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -62.0 -29.75 70.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_