data_2ea6_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 2ea6 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.2 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.831 0.348 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -148.9 115.72 5.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.9 t -101.42 118.33 60.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.661 0.743 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -14.38 36.0 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.721 2.281 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.6 mm -73.31 -56.75 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 22' ' ' MET . 24.5 p -103.44 2.14 33.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' CYS . 4.1 ptt? 36.59 48.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -117.97 159.11 23.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.13 -157.37 1.89 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.528 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.416 ' CE2' HG23 ' A' ' 29' ' ' VAL . 32.4 t80 -88.91 -59.79 2.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.93 0.395 . . . . 0.0 110.956 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.4 p -41.2 -54.97 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -48.96 -60.77 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 90.2 mt -49.15 -52.93 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.416 HG23 ' CE2' ' A' ' 25' ' ' TYR . 6.3 m -84.65 29.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -100.06 44.28 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.5 t30 66.72 41.69 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -136.89 -48.32 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -146.36 156.45 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -99.3 143.41 29.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.1 mm -73.62 110.16 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.91 167.12 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.7 p -135.41 163.68 29.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.9 p -127.43 164.46 21.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -71.51 -48.28 49.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.7 p -38.75 -37.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.54 37.07 1.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -131.06 160.02 35.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.4 t -109.75 138.58 36.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.497 ' CG ' HD13 ' A' ' 49' ' ' LEU . 89.7 m-85 -146.33 178.38 8.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.1 m -102.53 167.13 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.3 t -59.77 -54.05 50.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.5 -59.63 2.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.1 m -40.63 -67.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.497 HD13 ' CG ' ' A' ' 44' ' ' PHE . 14.9 tp -52.92 -63.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -40.33 -34.99 0.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.424 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 11.9 t70 -77.01 -40.28 47.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' LEU . 37.8 t -56.54 -52.04 66.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.41 ' N ' HD13 ' A' ' 53' ' ' LEU . 10.4 mp -47.11 -36.12 7.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.424 ' CE ' ' HA ' ' A' ' 51' ' ' ASP . 44.8 mtmt -70.15 -43.99 69.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -80.24 -69.12 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' ASN . . . -114.17 95.09 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' ALA . 86.3 m-20 -36.81 -52.98 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.0 p -65.5 160.98 21.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.8 t -59.33 135.21 88.46 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.36 2.83 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.354 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.2 m -117.03 -69.68 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.4 p -84.44 -24.58 29.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 58.24 49.8 10.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' LYS . 14.2 tttp -113.86 143.2 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' LYS . 8.7 mmmm -37.72 102.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.7 pt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 179.852 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 33.6 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.861 0.362 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.9 p -154.85 116.48 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.1 t -98.11 119.12 62.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.747 . . . . 0.0 110.851 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -16.24 37.33 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -73.4 -67.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -83.07 -24.41 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.6 mtp 57.42 46.14 18.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.73 178.44 5.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.45 -172.39 45.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.442 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.465 ' HB2' ' CG2' ' A' ' 16' ' ' VAL . 9.8 t80 -81.07 -62.52 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.936 0.398 . . . . 0.0 110.924 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.9 p -42.57 -44.13 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.28 -54.75 43.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.403 ' CG2' HD11 ' A' ' 35' ' ' ILE . 35.3 mt -58.04 -41.02 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.3 m -91.71 30.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 tm0? -100.6 72.32 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.7 t30 39.71 45.85 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.78 -51.87 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -134.85 -179.94 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.6 tp -128.01 165.59 20.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.403 HD11 ' CG2' ' A' ' 28' ' ' ILE . 48.7 mm -99.43 115.97 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.6 m -116.42 164.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.169 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.3 p -132.38 158.88 40.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.1 p -115.51 177.59 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -84.37 -48.55 9.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.4 p -40.78 -36.03 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.1 39.77 0.73 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.474 ' CE1' HG23 ' A' ' 61' ' ' THR . 8.8 m170 -128.11 176.41 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 110.839 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 68.0 t -127.57 138.28 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.457 ' CG ' HD12 ' A' ' 49' ' ' LEU . 71.0 m-85 -150.47 171.66 16.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.9 m -97.23 171.0 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.9 p -59.84 -62.3 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -62.32 -59.75 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.4 m -40.14 -65.34 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.457 HD12 ' CG ' ' A' ' 44' ' ' PHE . 15.5 tp -55.93 -51.87 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -50.08 -28.47 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -82.53 -32.31 28.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -79.02 -28.2 43.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.1 tp -58.0 -54.73 43.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 18.0 pttp -62.4 -48.3 80.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.45 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 40.9 t30 -48.11 -51.56 24.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.71 151.59 41.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -85.09 24.35 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.4 p -140.24 168.76 19.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.2 134.73 94.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 4.19 2.32 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.474 HG23 ' CE1' ' A' ' 42' ' ' HIS . 98.0 m -118.77 -69.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.24 -25.88 29.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.9 mtt85 64.21 38.35 8.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -97.19 147.79 23.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.8 99.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 pt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.865 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 34.4 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.848 0.356 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -166.95 120.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.1 t -103.3 118.11 58.59 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -18.9 36.75 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.9 mm -67.37 -54.5 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' MET . 28.1 p -106.78 3.53 26.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.417 ' C ' ' O ' ' A' ' 21' ' ' CYS . 5.8 ptm 36.25 49.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -118.58 166.17 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.29 -165.38 29.89 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.494 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.486 ' CE2' HG13 ' A' ' 35' ' ' ILE . 15.7 t80 -81.77 -54.73 5.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.974 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -49.23 -48.04 45.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.808 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -55.54 -54.94 37.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.9 mt -52.65 -51.16 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 m -84.11 25.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -94.92 74.33 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.4 p30 44.93 43.77 7.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.51 -83.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.16 -174.5 2.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.811 0.339 . . . . 0.0 110.879 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mt -119.63 166.01 13.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.486 HG13 ' CE2' ' A' ' 25' ' ' TYR . 47.2 mm -92.25 113.35 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 m -118.74 161.78 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.5 p -133.21 159.12 41.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.423 ' CG2' HD22 ' A' ' 49' ' ' LEU . 48.6 p -116.91 177.43 4.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.186 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -78.82 -47.52 16.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.9 p -42.57 -39.85 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.71 31.27 1.5 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -123.44 139.6 53.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.8 t -89.86 139.86 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -146.2 171.93 14.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.8 m -92.56 172.03 8.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.0 t -62.41 -48.5 79.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' CYS . 0.7 OUTLIER -79.03 -61.32 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' GLN . 71.2 m -35.22 -70.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.423 HD22 ' CG2' ' A' ' 38' ' ' THR . 12.0 tp -42.11 -61.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -44.81 -51.71 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -49.28 -39.59 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 p -69.17 -41.13 77.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.76 -45.72 92.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -62.09 -58.76 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -68.41 -70.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.55 -178.15 6.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -118.26 -44.0 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.6 p -98.08 170.73 8.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.0 t -51.25 135.61 30.93 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.607 0.718 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.78 3.38 2.82 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.375 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.4 m -117.61 -71.57 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.5 p -84.08 -25.25 29.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 61.81 49.87 4.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 66' ' ' ILE . 17.3 ttmt -107.05 146.35 31.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.54 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' LYS . 5.0 pt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.823 0.344 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.2 p -169.0 114.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -105.68 119.12 53.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.65 0.738 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -13.53 34.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.307 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.3 mm -75.46 -67.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p -85.03 -20.65 30.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 17.7 mtp 53.54 49.58 19.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -121.2 173.32 7.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.472 ' O ' ' CD1' ' A' ' 28' ' ' ILE . . . -72.95 -159.03 4.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -90.31 -45.2 9.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 110.94 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.8 t -67.63 -35.67 79.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -65.31 -23.04 66.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 58.1 mt -88.99 -33.02 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 m -107.56 23.91 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -75.63 48.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 69.65 37.35 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.09 -81.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.472 ' CD ' ' HB2' ' A' ' 47' ' ' GLN . 41.5 mtt180 -97.33 178.92 5.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.912 0.387 . . . . 0.0 110.819 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tp -130.89 165.14 23.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.9 mm -91.38 113.91 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.418 HG23 ' C ' ' A' ' 45' ' ' CYS . 6.4 m -119.25 152.86 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 t -122.25 162.87 20.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.5 p -118.1 168.26 10.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -74.87 -45.34 43.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 p -41.22 -43.76 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.85 29.27 0.82 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -121.54 175.98 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 44' ' ' PHE . 55.6 t -126.69 139.66 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.457 ' N ' HG12 ' A' ' 43' ' ' VAL . 89.7 m-85 -148.43 175.93 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.418 ' C ' HG23 ' A' ' 36' ' ' VAL . 21.4 m -101.09 157.97 16.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.3 t -44.96 -59.4 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.472 ' HB2' ' CD ' ' A' ' 33' ' ' ARG . 4.9 mm100 -68.31 -62.87 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' GLN . 92.9 m -34.3 -66.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 tp -44.68 -61.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -47.09 -45.27 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.74 -34.64 69.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 p -76.83 -41.03 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.92 -44.83 91.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -68.72 -30.85 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -85.39 -68.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.16 -177.47 6.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -108.32 -32.28 7.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.6 p -120.35 172.08 8.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 54.0 t -46.18 134.59 7.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 4.51 2.16 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.9 m -118.58 -67.76 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.0 p -87.88 -22.33 24.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 58.18 49.1 11.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -108.62 160.41 15.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -54.8 102.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.0 pt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.894 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.4 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.875 0.369 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.4 m -146.65 123.38 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.0 t -99.11 109.88 55.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -12.49 33.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 mm -75.01 -59.51 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.5 p -90.18 -31.24 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.9 mtm 58.7 51.04 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.419 ' HB3' ' CB ' ' A' ' 27' ' ' GLU . 1.3 m-20 -111.25 -60.91 1.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.22 144.88 6.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CD2' HG13 ' A' ' 35' ' ' ILE . 47.8 t80 -39.12 -57.29 1.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 110.923 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.9 p -47.88 -48.32 31.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' GLN . 5.5 mp0 -65.41 -60.58 2.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.442 HD13 ' CD1' ' A' ' 35' ' ' ILE . 20.1 mt -37.11 -54.86 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 30' ' ' GLN . 33.1 m -63.23 -32.69 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' GLU . 11.1 tt0 -67.49 -49.64 62.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -59.03 -58.46 8.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.97 48.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -135.67 161.16 36.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mt -100.54 152.36 20.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.447 HG13 ' CD2' ' A' ' 25' ' ' TYR . 35.2 mm -94.86 117.29 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.415 ' CG2' HD23 ' A' ' 49' ' ' LEU . 21.7 m -111.54 160.72 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.1 t -133.43 139.95 47.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.4 p -98.07 147.36 24.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.81 -30.21 66.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.2 p -52.9 -28.33 22.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.29 40.15 0.76 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.448 ' CE1' HG22 ' A' ' 61' ' ' THR . 31.6 m80 -140.13 176.66 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 44' ' ' PHE . 57.4 t -134.33 143.11 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.456 ' N ' HG13 ' A' ' 43' ' ' VAL . 29.9 m-85 -158.06 178.78 9.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 33.9 m -98.31 179.84 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.2 t -70.55 -47.18 61.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -78.9 -56.38 4.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.1 m -43.94 -66.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.446 HD12 ' CD2' ' A' ' 44' ' ' PHE . 11.9 tp -43.04 -61.86 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.93 -53.0 17.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -45.24 -32.58 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.0 m -83.49 -44.43 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.4 mt -54.08 -38.39 65.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -85.19 27.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -122.32 -65.24 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 57' ' ' ASN . . . -121.62 28.9 7.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.086 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' ALA . 1.3 t30 35.29 43.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.2 p -158.4 176.08 12.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.409 ' C ' ' H ' ' A' ' 61' ' ' THR . 46.4 t -70.8 134.68 85.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 7.35 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.704 2.269 . . . . 0.0 112.402 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.448 HG22 ' CE1' ' A' ' 42' ' ' HIS . 98.2 m -124.01 -63.79 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -93.25 -18.76 22.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? 60.73 49.08 6.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -114.31 145.29 41.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -46.96 106.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.4 pt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.881 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.44 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 12.6 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.85 0.357 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.3 m -131.47 107.02 8.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 t -96.85 119.64 63.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -22.26 32.45 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.633 2.222 . . . . 0.0 112.375 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.0 mm -63.77 -63.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 p -89.03 -23.14 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 42.7 mtm 58.14 47.01 15.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -127.78 158.42 37.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.47 -164.34 1.19 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.44 ' HB2' ' CG2' ' A' ' 16' ' ' VAL . 11.9 t80 -87.28 -61.56 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.874 0.368 . . . . 0.0 110.941 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.3 p -41.48 -40.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -63.99 -52.54 59.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.7 mt -50.85 -46.1 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -76.86 -5.88 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -72.45 -61.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -61.1 -46.85 88.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 133.7 62.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 86.9 mtm-85 -131.46 160.53 34.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tp -104.24 142.93 33.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.8 mm -85.45 109.74 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 36.0 m -104.71 158.21 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 m -133.92 137.95 45.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.1 p -95.4 161.45 14.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.164 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -72.67 -44.72 61.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.0 p -40.07 -37.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.47 35.87 0.77 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.488 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.554 ' CE1' HG23 ' A' ' 61' ' ' THR . 24.4 m80 -130.75 171.09 13.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 82.7 t -120.66 149.37 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.504 ' CD2' HD13 ' A' ' 49' ' ' LEU . 80.1 m-85 -154.1 -179.71 8.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 25.0 m -111.16 158.76 18.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 t -48.26 -53.17 18.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 48' ' ' CYS . 7.1 mm100 -72.09 -60.66 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 47' ' ' GLN . 83.3 m -37.09 -70.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.504 HD13 ' CD2' ' A' ' 44' ' ' PHE . 17.9 tp -49.12 -64.21 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' LEU . 57.9 mtt-85 -34.52 -43.44 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -64.3 -45.74 86.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 49' ' ' LEU . 47.0 t -67.65 -47.84 68.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.6 tp -44.71 -54.48 6.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -37.2 84.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -58.94 -47.39 85.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.54 154.51 28.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -84.13 40.13 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.3 p -146.46 159.52 43.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.1 t -71.7 134.51 83.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.717 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 4.15 2.38 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.554 HG23 ' CE1' ' A' ' 42' ' ' HIS . 62.0 m -117.31 -69.4 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.6 p -86.82 -25.27 24.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 63.43 43.58 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 66' ' ' ILE . 19.7 ttmt -93.77 151.11 19.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 65' ' ' LYS . 2.9 tmtt? -51.36 87.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 64' ' ' LYS . 6.3 pt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 m . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.841 0.353 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.5 p -174.65 117.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.7 t -87.21 119.86 71.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -20.01 35.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.244 . . . . 0.0 112.323 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.6 mm -69.11 -69.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 p -81.15 -30.96 34.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.6 mtm 57.55 49.32 12.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.2 -74.14 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.79 154.12 6.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.453 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.499 ' CE2' HG13 ' A' ' 35' ' ' ILE . 5.3 t80 -40.99 -68.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.925 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -48.5 -59.77 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.58 -33.46 1.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.0 mt -76.04 -42.61 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.6 m -89.81 20.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -105.36 71.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 64.66 37.17 7.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.38 -95.86 0.54 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -122.87 -175.68 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.379 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tt -109.04 166.31 10.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.499 HG13 ' CE2' ' A' ' 25' ' ' TYR . 14.6 mm -91.33 111.38 23.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.423 HG23 ' C ' ' A' ' 45' ' ' CYS . 22.4 m -114.67 165.86 9.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.5 p -133.37 167.79 19.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.8 p -122.0 170.28 9.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -84.65 -19.99 32.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.0 p -67.82 -25.36 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.7 36.33 2.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -132.78 174.39 10.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.473 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 56.2 t -124.45 149.59 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.473 ' CG ' ' O ' ' A' ' 43' ' ' VAL . 90.2 m-85 -159.58 179.08 9.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.423 ' C ' HG23 ' A' ' 36' ' ' VAL . 15.4 m -100.51 165.82 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -55.86 -58.84 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 48' ' ' CYS . 4.4 tp60 -69.61 -60.4 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 47' ' ' GLN . 83.3 m -35.59 -66.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 tp -43.65 -58.09 2.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 50' ' ' ARG . 8.7 mtp-105 -50.81 -45.01 59.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.78 -29.14 62.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 t -81.56 -39.43 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.51 -42.33 87.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -51.58 -46.93 63.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -81.81 -67.53 0.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.64 133.36 48.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.428 ' O ' ' CG2' ' A' ' 58' ' ' THR . 9.2 p30 -85.53 48.24 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 22.2 p -161.73 171.82 17.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 35.2 t -73.19 130.59 84.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.665 0.745 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.01 2.44 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.6 m -113.84 -63.48 1.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -91.25 -26.35 19.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 64.4 49.94 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.456 ' CG ' ' N ' ' A' ' 65' ' ' LYS . 26.7 tttp -111.39 169.26 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.456 ' N ' ' CG ' ' A' ' 64' ' ' LYS . 3.3 tppp? -64.85 101.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.9 pt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.853 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.5 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.838 0.351 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.0 p -136.68 110.61 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -73.76 118.0 65.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.618 0.723 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -12.57 33.19 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.364 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.9 mm -80.66 -70.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.2 p -81.53 -34.36 31.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.4 mtm 60.74 47.99 7.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -108.31 -69.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 28' ' ' ILE . . . 144.02 166.7 11.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.497 ' CE2' HG13 ' A' ' 35' ' ' ILE . 2.3 t80 -64.85 -50.91 64.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.37 . . . . 0.0 110.867 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.8 t -55.08 -41.06 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 28' ' ' ILE . 5.3 mm-40 -77.22 -64.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.476 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 19.6 mt -33.07 -46.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.3 m -75.3 -44.88 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -39.32 -48.43 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -67.84 -59.28 3.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 149.68 42.71 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.54 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.0 mmt-85 -120.73 142.83 49.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mp -88.46 153.84 20.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.497 HG13 ' CE2' ' A' ' 25' ' ' TYR . 49.6 mm -96.01 115.41 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.1 m -109.19 173.53 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.9 p -147.52 158.68 44.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.6 p -114.45 160.31 19.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -72.71 -33.82 66.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.3 p -50.68 -31.74 17.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.77 34.39 1.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.427 ' CE1' ' HB ' ' A' ' 61' ' ' THR . 21.9 m170 -130.4 165.82 21.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.1 t -118.79 144.62 26.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -152.77 168.88 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.1 m -90.28 172.46 8.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.5 p -64.0 -47.98 78.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -78.43 -58.41 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 75.4 m -39.28 -72.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 15.0 tp -43.83 -60.59 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -46.06 -33.31 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -68.1 -44.89 75.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.7 m -65.64 -24.17 66.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.417 ' CD2' ' O ' ' A' ' 49' ' ' LEU . 3.6 mm? -79.12 -47.04 16.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -80.84 -10.02 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -113.33 -61.82 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.3 179.47 7.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -99.94 -50.32 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' CYS . 18.1 p -128.1 170.23 13.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 63' ' ' ARG . 26.7 t -37.7 131.27 0.88 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.721 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 5.74 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.346 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.427 ' HB ' ' CE1' ' A' ' 42' ' ' HIS . 3.4 m -117.83 -67.52 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.0 p -86.97 -19.86 28.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 44.8 mmm-85 54.58 50.34 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -116.76 160.49 20.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -50.33 114.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 29.7 pt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.902 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.747 0.308 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.5 p -126.65 109.7 12.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.5 t -99.73 123.46 47.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -25.92 27.98 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.359 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.8 mm -63.24 -65.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.9 p -83.82 -21.73 32.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.0 mtt 53.85 46.09 26.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -127.76 -177.31 4.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.27 -174.68 37.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.499 ' CZ ' HG13 ' A' ' 29' ' ' VAL . 88.1 t80 -66.81 -54.1 26.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.897 0.38 . . . . 0.0 110.894 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.426 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 26.3 t -50.17 -39.52 43.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.1 tm-20 -65.73 -42.33 91.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.3 mt -67.54 -48.04 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.499 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 25.0 m -66.7 -44.19 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' VAL . 15.0 mm-40 -34.16 -59.74 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 27' ' ' GLU . 1.4 p30 -61.72 -41.01 97.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' VAL . . . 117.45 54.85 0.3 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.45 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -119.03 174.86 6.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mt -111.91 156.4 22.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.7 mm -100.3 113.69 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.165 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.8 m -110.42 156.08 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.6 m -128.74 133.82 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 p -86.86 143.18 27.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -64.48 -24.79 67.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.3 p -61.06 -24.58 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.07 41.42 1.08 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.498 ' CE1' HG22 ' A' ' 61' ' ' THR . 24.3 m80 -142.58 165.14 28.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.0 t -116.61 140.06 40.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.518 ' CG ' HD12 ' A' ' 49' ' ' LEU . 97.6 m-85 -147.85 174.55 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.5 m -102.15 160.61 14.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.4 p -55.32 -47.85 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -74.01 -54.3 8.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 84.0 m -46.16 -67.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.518 HD12 ' CG ' ' A' ' 44' ' ' PHE . 12.7 tp -49.35 -58.18 5.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -42.78 -43.79 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -73.76 -37.83 64.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.5 t -59.49 -53.01 63.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 mp -43.86 -43.81 6.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.981 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -63.84 -53.32 52.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -67.22 -65.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.36 98.0 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -38.18 -46.46 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.2 p -90.19 172.61 8.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.6 t -54.2 134.37 60.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.43 ' HG2' ' CE1' ' A' ' 44' ' ' PHE . 54.2 Cg_endo -69.72 4.72 2.01 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.498 HG22 ' CE1' ' A' ' 42' ' ' HIS . 11.6 m -118.05 -71.34 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.7 p -88.05 -23.03 23.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 64.09 38.07 8.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -96.54 154.08 17.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -50.83 106.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.4 pt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.844 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 15.5 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.823 0.344 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -169.26 106.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.0 t -92.51 118.93 68.23 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -16.27 37.48 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.703 2.268 . . . . 0.0 112.359 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.6 mm -75.2 -65.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.131 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 22' ' ' MET . 29.3 p -92.22 -30.72 15.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 26.4 ptm 45.08 41.44 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.42 -68.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 148.64 129.85 1.86 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 16' ' ' VAL . 92.0 t80 -34.67 -43.09 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.424 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 74.3 m -52.68 -57.35 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.849 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.26 -46.5 86.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.419 HG23 ' CG ' ' A' ' 33' ' ' ARG . 65.1 mt -54.97 -40.8 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.172 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 26' ' ' SER . 16.0 m -76.64 -22.42 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.45 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 13.1 tm0? -71.61 68.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 12.4 p30 48.85 43.4 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.69 -73.09 0.56 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' CG ' HG23 ' A' ' 28' ' ' ILE . 9.5 ptt-85 -154.05 164.41 38.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.366 . . . . 0.0 110.85 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -91.04 158.62 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.554 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 1.1 mp -88.1 109.12 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 44' ' ' PHE . 7.7 m -107.98 158.9 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 90.8 p -134.69 153.31 52.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.7 p -110.84 177.25 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -81.05 -34.9 32.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.8 p -51.03 -34.22 28.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.35 27.73 3.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.582 ' CE1' ' CG2' ' A' ' 61' ' ' THR . 13.1 m170 -115.45 177.05 4.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.839 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.6 t -124.71 139.78 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.502 ' CG ' HD12 ' A' ' 49' ' ' LEU . 58.4 m-85 -152.94 168.73 24.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.4 m -100.2 157.5 16.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 99.7 p -49.79 -48.7 50.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -69.52 -66.97 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 56.5 m -38.49 -70.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.502 HD12 ' CG ' ' A' ' 44' ' ' PHE . 14.9 tp -43.65 -62.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -45.93 -37.03 5.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.76 -32.97 66.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -71.18 -48.62 50.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.6 mp -45.3 -41.45 8.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 8.4 ptmm? -85.65 -42.31 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.455 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 3.1 t30 -64.74 -65.83 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.0 173.61 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -97.58 -33.89 11.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.424 ' HB ' ' C ' ' A' ' 63' ' ' ARG . 11.8 p -131.2 -176.03 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.434 ' HB3' ' N ' ' A' ' 63' ' ' ARG . 1.9 t -53.3 128.36 49.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.716 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 4.86 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.582 ' CG2' ' CE1' ' A' ' 42' ' ' HIS . 24.6 m -125.68 -50.43 1.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' LYS . 32.0 p -118.4 11.29 12.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.496 ' CD ' ' O ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER 31.7 37.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 62' ' ' CYS . 24.7 tttm -97.59 130.8 44.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.2 mmpt? -33.75 105.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.8 pt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.861 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.806 0.336 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.6 m -158.26 124.85 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.4 t -104.04 118.14 57.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.732 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 -17.97 36.96 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.335 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.5 mm -66.86 -71.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.9 p -82.49 -31.54 29.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.1 mtm 61.11 49.68 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 23' ' ' ASP . 0.6 OUTLIER -100.57 -68.4 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.76 142.98 5.1 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.444 ' CZ ' HG13 ' A' ' 29' ' ' VAL . 34.1 t80 -40.58 -59.53 1.34 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.885 0.374 . . . . 0.0 110.933 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -46.69 -31.53 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' GLN . 12.1 tt0 -86.0 -63.35 1.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.0 mt -44.86 -41.21 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.444 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 15.4 m -76.47 -23.41 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' GLU . 32.3 tt0 -78.71 70.41 5.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 m120 58.25 41.91 22.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -115.08 -86.82 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.9 mtm-85 -144.29 -175.32 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.332 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tp -101.83 141.59 34.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.431 HD13 ' N ' ' A' ' 35' ' ' ILE . 1.4 mp -77.89 108.7 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.9 m -105.88 162.78 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.2 p -131.07 157.66 42.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.5 p -121.27 149.2 43.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' CYS . 4.2 pt-20 -52.22 -54.55 29.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' GLU . 21.1 p -35.03 -43.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.46 25.44 1.61 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.568 ' CE1' HG22 ' A' ' 61' ' ' THR . 12.5 m170 -114.0 170.9 7.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.492 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 56.7 t -120.07 149.19 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.492 ' CG ' ' O ' ' A' ' 43' ' ' VAL . 56.7 m-85 -159.96 178.11 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.4 m -103.78 157.04 17.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -47.34 -63.35 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -60.2 -58.35 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 84.6 m -42.97 -64.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' SER . 15.5 tp -56.49 -57.64 11.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -45.29 -35.61 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -81.57 -25.61 35.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' LEU . 6.3 t -75.77 -40.04 55.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.427 ' CD1' ' HG ' ' A' ' 49' ' ' LEU . 7.2 mp -51.86 -52.85 46.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -73.69 -51.34 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -52.76 -62.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.13 163.18 13.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -80.33 -40.22 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.425 ' HB ' ' C ' ' A' ' 63' ' ' ARG . 7.8 p -134.54 176.51 8.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.173 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.412 ' C ' ' H ' ' A' ' 61' ' ' THR . 10.6 t -37.64 133.61 0.81 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 8.35 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.73 2.286 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.568 HG22 ' CE1' ' A' ' 42' ' ' HIS . 62.4 m -124.44 -75.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.2 p -84.89 -14.93 46.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.425 ' C ' ' HB ' ' A' ' 58' ' ' THR . 26.0 mtm-85 58.33 52.37 7.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.31 152.09 18.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -50.14 94.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.4 pt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.861 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.865 0.364 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 t -159.25 129.7 5.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 22' ' ' MET . 43.2 t -95.6 121.24 62.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.673 0.749 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -14.85 36.79 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.6 mm -77.15 -56.7 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.8 p -95.15 -25.2 16.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' CYS . 67.9 mtt 62.87 49.49 3.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.2 161.6 29.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.0 -166.67 1.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.547 ' CE2' HG13 ' A' ' 35' ' ' ILE . 1.8 t80 -90.81 -41.89 10.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -56.96 -43.23 81.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.73 -52.93 62.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.7 mt -49.78 -62.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.45 HG12 ' CZ ' ' A' ' 25' ' ' TYR . 13.3 m -57.33 -33.09 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -62.48 -57.92 9.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -50.17 -45.72 53.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 129.85 44.26 0.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -125.66 154.3 42.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.2 139.9 32.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.547 HG13 ' CE2' ' A' ' 25' ' ' TYR . 35.8 mm -79.13 106.8 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.446 ' CG2' HD23 ' A' ' 49' ' ' LEU . 27.3 m -106.45 170.62 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.6 t -151.8 153.29 33.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.9 p -107.13 167.73 9.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 40' ' ' CYS . 13.8 pt-20 -69.52 -51.16 38.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' GLU . 14.3 p -36.81 -40.66 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.73 42.55 0.45 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 8.6 m80 -133.71 138.81 46.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.361 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.4 t -92.66 136.9 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 42' ' ' HIS . 92.1 m-85 -143.03 168.09 20.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 39.2 m -94.55 163.96 13.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.7 p -51.96 -57.28 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 48' ' ' CYS . 5.6 tt0 -69.87 -62.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 47' ' ' GLN . 74.6 m -34.48 -68.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.446 HD23 ' CG2' ' A' ' 36' ' ' VAL . 18.6 tp -50.28 -63.24 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.9 mtt-85 -38.94 -44.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.91 -44.92 94.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' LEU . 42.1 t -62.35 -34.11 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -69.23 -43.15 74.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -65.7 -59.41 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -73.78 -63.61 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.64 -177.25 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -124.14 -60.69 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' CYS . 64.2 p -87.23 159.05 18.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.179 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 58' ' ' THR . 16.7 t -35.59 130.29 0.56 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.718 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 6.32 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.631 2.221 . . . . 0.0 112.34 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.446 HG22 ' CE1' ' A' ' 42' ' ' HIS . 92.3 m -120.25 -60.6 1.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.9 p -95.38 -21.2 18.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.411 ' C ' ' HB ' ' A' ' 58' ' ' THR . 8.7 mtp180 59.79 40.9 18.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 65' ' ' LYS . 1.4 tmtp? -98.25 148.24 23.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 18.3 tptt -47.06 99.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 26.5 pt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.877 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.407 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 12.6 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.845 0.355 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.8 m -146.23 113.2 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.7 t -95.51 119.37 65.37 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.671 0.748 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -20.02 35.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.254 . . . . 0.0 112.364 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -68.43 -62.94 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.4 p -88.96 -19.91 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.9 mtm 57.48 43.98 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -113.88 -179.63 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.82 -175.45 33.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.475 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.407 ' HB2' ' CG2' ' A' ' 16' ' ' VAL . 35.7 t80 -77.66 -42.58 34.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.913 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -64.89 -29.12 70.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.817 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -75.52 -56.45 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 38.1 mt -52.78 -43.21 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.9 m -74.05 -27.9 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -68.27 70.42 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 m120 51.26 48.85 22.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -123.02 -83.83 0.65 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' HD2' ' CB ' ' A' ' 47' ' ' GLN . 12.7 mmp_? -138.95 168.98 18.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.823 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp -94.35 133.34 38.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.8 mm -69.57 117.46 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 m -117.2 153.38 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.0 p -121.24 150.58 41.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.401 ' CG2' HD23 ' A' ' 49' ' ' LEU . 76.4 p -113.94 159.58 19.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -74.35 -45.15 48.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.408 ' HB3' ' CG2' ' A' ' 66' ' ' ILE . 24.5 p -39.28 -38.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.8 42.33 0.45 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.508 ' CE1' HG22 ' A' ' 61' ' ' THR . 23.2 m170 -139.7 -175.14 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 44' ' ' PHE . 57.8 t -135.74 143.34 36.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.44 ' N ' HG11 ' A' ' 43' ' ' VAL . 89.6 m-85 -153.84 -179.25 7.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 5.0 m -106.2 153.23 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.4 t -38.48 -71.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 48' ' ' CYS . 5.5 tp-100 -56.6 -66.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 47' ' ' GLN . 82.3 m -33.08 -63.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.418 ' HG ' ' CD2' ' A' ' 53' ' ' LEU . 14.1 tp -52.45 -59.18 4.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -44.79 -40.75 6.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.7 -42.47 97.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.404 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 47.1 t -70.38 -28.8 65.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.418 ' CD2' ' HG ' ' A' ' 49' ' ' LEU . 3.7 mm? -77.89 -40.9 38.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -71.89 -41.52 67.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -71.94 -38.05 69.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.458 ' N ' ' OD1' ' A' ' 55' ' ' ASN . . . -148.38 170.41 18.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -110.96 52.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.0 p -159.25 167.42 29.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.406 ' C ' ' H ' ' A' ' 61' ' ' THR . 44.0 t -84.23 135.05 42.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.409 ' HG2' ' CE1' ' A' ' 44' ' ' PHE . 53.6 Cg_endo -69.75 7.59 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.508 HG22 ' CE1' ' A' ' 42' ' ' HIS . 11.2 m -122.5 -71.52 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.2 p -79.03 -20.72 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 60.35 42.22 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -95.05 168.81 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.61 55.41 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.408 ' CG2' ' HB3' ' A' ' 40' ' ' CYS . 18.4 pt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.851 0.358 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.52 125.56 4.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' MET . 47.2 t -100.58 120.52 55.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -8.6 24.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.5 mm -85.63 -54.11 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.147 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.455 ' SG ' ' CG ' ' A' ' 23' ' ' ASP . 7.7 p -99.72 -25.96 14.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 18' ' ' CYS . 52.6 mmm 67.06 55.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.455 ' CG ' ' SG ' ' A' ' 21' ' ' CYS . 26.2 p30 -128.16 161.9 28.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.98 -128.3 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -117.41 -43.75 2.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.924 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.3 t -61.5 -49.49 76.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -50.58 -55.97 13.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.9 mt -51.86 -53.49 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.4 m -79.73 10.63 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.164 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -80.82 55.81 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.2 t30 57.55 44.27 21.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.31 -57.02 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -145.76 165.9 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 tp -102.97 160.97 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.2 mm -89.7 112.78 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 44' ' ' PHE . 21.1 m -114.35 170.52 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.9 p -133.04 177.27 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.2 p -137.64 155.59 48.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 40' ' ' CYS . 19.9 tt0 -58.28 -53.2 61.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' GLU . 14.8 p -36.65 -42.56 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.19 29.65 1.44 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -118.02 174.87 5.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.794 0.33 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.3 t -118.49 142.4 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.468 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 96.8 m-85 -153.76 165.09 37.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.9 m -92.37 162.02 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 t -49.39 -65.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 48' ' ' CYS . 5.3 tp60 -61.75 -64.83 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 47' ' ' GLN . 69.5 m -33.81 -65.48 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.4 tp -50.15 -63.25 1.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -43.2 -36.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -67.57 -42.85 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 t -66.19 -24.57 66.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -78.44 -47.08 18.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -22.31 60.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -101.91 -68.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.49 169.77 17.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.069 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -96.59 -41.48 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 p -128.21 173.6 9.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.451 ' N ' HD12 ' A' ' 66' ' ' ILE . 37.0 t -42.33 132.99 2.69 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 3.4 2.8 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.8 m -114.72 -68.73 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.3 p -84.24 -31.74 24.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 70.67 43.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 65' ' ' LYS . 21.5 tttm -102.65 154.02 19.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 3.3 mmmm -50.5 108.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.451 HD12 ' N ' ' A' ' 59' ' ' CYS . 9.0 pt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.821 0.343 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.4 p -142.36 113.68 7.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.7 t -101.9 122.75 46.18 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -23.43 30.76 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.7 mm -66.18 -64.99 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.8 p -83.64 -24.72 31.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 23.3 mtt 56.23 43.61 26.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -127.4 171.02 11.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.25 -168.32 18.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -84.11 -49.54 8.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.921 0.391 . . . . 0.0 110.967 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -48.45 -45.36 36.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.5 -56.4 22.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.9 mt -49.15 -50.79 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.2 m -70.1 -25.03 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -68.13 -61.89 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -48.8 -42.25 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.16 44.53 0.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 47' ' ' GLN . 11.5 mmt180 -122.07 171.73 8.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.926 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.9 mt -120.06 152.47 37.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.1 mm -91.56 122.3 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.1 m -120.25 167.51 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.7 p -138.15 147.84 44.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.4 p -103.98 172.8 6.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 40' ' ' CYS . 5.9 mm-40 -74.33 -54.66 7.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' GLU . 15.6 p -35.11 -42.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.77 39.38 0.53 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.485 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 10.1 m80 -127.4 155.9 42.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.2 t -107.58 138.13 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.563 ' CD2' HD11 ' A' ' 49' ' ' LEU . 90.7 m-85 -148.29 176.16 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 55.1 m -99.8 171.93 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.7 t -64.6 -52.4 57.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 33' ' ' ARG . 8.4 tt0 -71.97 -51.61 21.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.4 m -46.28 -68.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.563 HD11 ' CD2' ' A' ' 44' ' ' PHE . 12.1 tp -54.66 -48.05 72.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -49.34 -40.75 36.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -75.31 -34.78 61.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 m -65.06 -42.65 94.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.6 mp -48.92 -52.41 24.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -73.86 -46.19 46.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.452 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 53.5 t30 -54.45 -69.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.34 -176.85 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -100.84 -44.06 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 59' ' ' CYS . 14.7 p -121.9 171.7 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' THR . 5.9 t -34.54 130.99 0.44 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 7.5 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.419 HG22 ' CE1' ' A' ' 42' ' ' HIS . 54.7 m -121.13 -66.38 1.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.3 p -90.88 -19.19 23.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 59.44 51.24 6.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -112.07 147.89 35.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -42.47 110.56 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.0 pt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.897 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.856 0.36 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.2 t -158.95 129.44 5.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.6 t -74.72 118.72 72.42 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.732 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -13.37 34.48 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.309 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.2 mm -77.36 -67.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 p -83.9 -26.97 28.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 62.7 mtm 59.31 53.68 5.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.18 -64.59 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.52 146.65 5.23 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.448 ' CE1' HG12 ' A' ' 29' ' ' VAL . 1.2 t80 -42.95 -54.01 4.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.914 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -60.24 -46.46 89.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -63.02 -23.58 67.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.5 mt -80.67 -67.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.448 HG12 ' CE1' ' A' ' 25' ' ' TYR . 27.8 m -45.51 -30.85 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -76.19 -58.48 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -45.81 -75.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.78 39.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -131.48 148.56 52.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tp -91.5 157.82 16.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.427 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 40.0 mm -97.46 118.64 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 45' ' ' CYS . 7.0 m -121.46 166.52 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.8 p -136.22 160.14 39.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.2 p -115.63 176.26 5.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' CYS . 2.8 pp20? -81.75 -48.31 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' GLU . 18.3 p -36.39 -41.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.04 33.53 0.68 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.564 ' CE1' HG23 ' A' ' 61' ' ' THR . 22.4 m80 -130.07 172.69 11.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.456 HG11 ' N ' ' A' ' 44' ' ' PHE . 44.1 t -126.18 142.93 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.456 ' N ' HG11 ' A' ' 43' ' ' VAL . 38.8 m-85 -149.52 169.46 20.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.474 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 29.8 m -86.01 -176.87 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -69.36 -61.46 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 48' ' ' CYS . 19.2 mm-40 -67.96 -56.98 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 47' ' ' GLN . 59.7 m -37.12 -65.84 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 52' ' ' SER . 17.1 tp -51.87 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -40.11 -31.75 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -75.59 -39.61 57.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' LEU . 66.8 m -67.73 -22.93 65.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -70.44 -46.02 64.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -83.45 -33.95 25.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -72.26 -55.59 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.05 167.09 10.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -91.26 -47.86 7.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' CYS . 39.5 p -109.58 167.73 9.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' THR . 46.0 t -37.51 134.9 0.75 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 4.68 2.05 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.229 . . . . 0.0 112.391 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.564 HG23 ' CE1' ' A' ' 42' ' ' HIS . 86.6 m -120.78 -72.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.2 p -80.21 -24.82 39.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.4 ' C ' ' HB ' ' A' ' 58' ' ' THR . 22.2 mtt85 62.66 42.75 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -103.95 145.87 29.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.35 105.3 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.1 pt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.876 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.41 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 28.6 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.801 0.334 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.6 m -146.1 105.66 3.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 22' ' ' MET . 35.2 t -94.08 115.65 65.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.73 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -15.25 37.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.728 2.286 . . . . 0.0 112.345 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.7 mm -74.72 -60.66 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' SG ' ' CG ' ' A' ' 23' ' ' ASP . 29.4 p -102.56 -26.87 13.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' CYS . 19.0 ptt? 44.35 39.57 3.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 23' ' ' ASP . 1.1 p30 -71.3 -66.13 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 146.73 129.66 2.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' GLY . 19.3 t80 -32.17 -53.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.918 0.39 . . . . 0.0 110.944 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.2 p -60.36 -55.59 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -48.07 -62.69 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.432 ' CG1' ' OD2' ' A' ' 23' ' ' ASP . 19.7 mt -43.92 -63.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 30' ' ' GLN . 14.6 m -55.87 -28.35 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 35.5 tt0 -72.78 68.83 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 1.0 OUTLIER 48.78 40.96 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 33' ' ' ARG . . . -115.02 -59.05 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.453 ' CG ' ' O ' ' A' ' 32' ' ' GLY . 76.5 mtt85 -162.06 177.5 9.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.452 HD23 ' N ' ' A' ' 35' ' ' ILE . 4.8 tt -96.76 148.4 22.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.452 ' N ' HD23 ' A' ' 34' ' ' LEU . 48.7 mm -93.48 116.74 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.06 162.67 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 p -131.57 143.61 50.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.5 p -112.36 168.83 9.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 40' ' ' CYS . 14.9 pt-20 -77.16 -49.24 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 39' ' ' GLU . 31.8 p -38.06 -41.6 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.54 38.98 0.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.494 ' CE1' HG23 ' A' ' 61' ' ' THR . 23.4 m170 -134.09 160.03 39.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.846 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.0 t -113.11 143.07 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -149.16 -174.96 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.1 m -116.16 148.49 40.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -38.12 -53.82 1.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -65.97 -59.63 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.5 m -43.63 -68.29 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.5 tp -49.5 -54.86 15.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -47.48 -41.49 20.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.04 -38.73 72.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -67.87 -36.41 80.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tp -50.35 -48.06 55.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -78.95 -44.37 22.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -60.82 -66.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.69 111.8 23.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -43.58 -44.82 6.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.8 p -96.88 177.0 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.7 t -55.22 134.55 68.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.708 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 2.98 3.02 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.494 HG23 ' CE1' ' A' ' 42' ' ' HIS . 18.9 m -115.68 -69.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.165 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.5 p -81.93 -29.26 32.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.3 mtm-85 67.83 45.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' LYS . 37.1 ttmt -115.88 138.19 51.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' LYS . 10.8 ttmt -36.84 105.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.403 ' CG2' ' O ' ' A' ' 64' ' ' LYS . 21.2 pt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.778 0.323 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.9 p -139.35 109.99 6.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.7 t -95.8 120.69 62.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -21.05 34.02 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.3 mm -66.11 -65.31 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 p -86.44 -25.58 25.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.7 mmm 61.78 44.24 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -120.53 173.96 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.98 -177.74 50.02 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.431 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 15.0 t80 -69.77 -66.62 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.929 0.395 . . . . 0.0 110.934 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.2 p -40.18 -60.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -41.34 -44.5 2.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.28 -43.64 91.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.431 HG21 ' CZ ' ' A' ' 25' ' ' TYR . 15.9 m -95.03 27.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -94.52 38.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 72.95 42.9 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.04 -40.07 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.518 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.5 mtt-85 -150.87 169.43 21.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 110.884 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tt -112.89 158.05 20.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.7 mm -90.31 116.6 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.451 ' CG2' HD22 ' A' ' 49' ' ' LEU . 13.5 m -116.78 152.56 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 m -124.64 156.39 37.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.8 p -122.98 175.12 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' CYS . 15.3 pt-20 -83.38 -53.47 5.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' GLU . 22.0 p -34.59 -40.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.87 44.63 0.45 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.446 ' CE1' HG21 ' A' ' 61' ' ' THR . 26.1 m170 -141.41 144.57 34.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.8 t -101.47 136.37 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.554 ' CD2' HD11 ' A' ' 49' ' ' LEU . 53.0 m-85 -140.68 176.9 8.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.7 m -100.96 175.56 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -61.37 -61.49 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -65.51 -56.47 12.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.0 m -40.98 -65.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.554 HD11 ' CD2' ' A' ' 44' ' ' PHE . 15.4 tp -55.97 -56.75 16.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -50.1 -26.6 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -83.91 -34.81 24.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 56' ' ' ALA . 11.5 m -70.59 -30.3 66.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.2 mp -70.33 -56.4 6.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -35.16 77.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -84.53 -66.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 52' ' ' SER . . . -90.13 146.49 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.89 -46.38 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.422 ' HB ' ' C ' ' A' ' 63' ' ' ARG . 68.5 p -103.93 170.41 7.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.5 t -51.96 134.76 38.53 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.659 0.743 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 5.9 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.35 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.446 HG21 ' CE1' ' A' ' 42' ' ' HIS . 5.4 m -122.01 -71.04 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.8 p -84.84 -23.29 29.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.422 ' C ' ' HB ' ' A' ' 58' ' ' THR . 12.6 mmt180 65.25 54.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.408 ' CG ' ' H ' ' A' ' 65' ' ' LYS . 58.7 tttt -103.49 175.95 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.497 ' N ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -81.36 38.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.1 pt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 179.896 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.864 0.364 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.4 m -126.9 105.18 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.7 t -100.14 118.9 60.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -12.13 32.3 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.639 2.226 . . . . 0.0 112.373 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mm -78.26 -56.44 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 22' ' ' MET . 26.9 p -101.5 0.92 37.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' CYS . 6.0 ptt? 36.52 44.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -118.88 170.75 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.57 -164.76 40.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -79.09 -44.4 22.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 110.952 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.1 p -62.52 -35.23 78.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -69.96 -31.06 68.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.6 mt -79.91 -49.03 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.496 HG21 ' N ' ' A' ' 30' ' ' GLN . 18.2 m -68.01 -29.6 45.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.496 ' N ' HG21 ' A' ' 29' ' ' VAL . 20.4 tp60 -69.97 -67.32 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.488 ' OD1' ' CZ ' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -42.56 -34.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.65 62.25 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.488 ' CZ ' ' OD1' ' A' ' 31' ' ' ASN . 79.0 mtm-85 -143.98 161.18 39.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.71 162.99 12.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.8 mm -102.68 113.55 39.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -115.83 165.82 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 p -141.48 170.71 15.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.5 p -127.55 158.72 36.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -73.43 -13.79 61.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.6 p -71.97 -24.02 61.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.21 28.13 5.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.461 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.488 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . 22.6 m170 -127.17 144.93 50.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.2 t -103.01 142.22 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 42' ' ' HIS . 47.9 m-85 -147.92 -179.54 6.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 60.9 m -99.89 174.66 6.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.8 p -65.32 -46.87 78.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 48' ' ' CYS . 0.9 OUTLIER -81.29 -57.92 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' GLN . 73.8 m -34.15 -64.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.7 tp -55.74 -42.62 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.07 -50.81 68.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.07 -25.75 67.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 m -84.81 -21.89 29.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.3 tp -70.67 -45.96 64.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -73.71 -44.36 56.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -58.7 -67.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.36 178.91 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -105.83 -41.58 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.4 ' HB ' ' C ' ' A' ' 63' ' ' ARG . 42.9 p -104.39 170.08 8.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 45.8 t -46.59 135.21 7.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.647 0.737 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 4.39 2.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.2 m -119.88 -70.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 13.5 p -84.05 -24.09 30.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.4 ' C ' ' HB ' ' A' ' 58' ' ' THR . 33.5 mtm-85 61.53 36.82 16.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -91.3 152.1 20.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -49.42 101.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 pt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.829 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.8 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.791 0.329 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.8 p -173.57 114.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.1 t -96.54 117.92 65.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.63 0.728 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -14.51 36.1 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.9 mm -74.65 -68.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.6 p -84.95 -8.66 58.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.1 mtt 42.33 53.58 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -128.63 173.58 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.87 -170.2 35.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.533 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 1.3 t80 -83.08 -43.92 15.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.6 p -62.16 -45.96 91.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -53.18 -53.73 46.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.3 mt -47.27 -62.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 30' ' ' GLN . 22.2 m -61.25 -26.88 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.407 ' N ' HG21 ' A' ' 29' ' ' VAL . 11.9 tp60 -50.29 -54.44 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -73.32 -37.34 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.79 -29.16 1.43 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.471 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.8 mtm-85 -48.91 155.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -116.84 168.83 9.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.6 mm -97.02 132.27 41.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 m -134.81 176.44 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.1 t -140.8 154.43 46.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -108.86 -176.12 2.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 40' ' ' CYS . 13.2 mp0 -77.93 -62.72 1.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 39' ' ' GLU . 31.3 p -34.95 -43.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.33 28.95 0.95 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.534 ' CE1' ' CG2' ' A' ' 61' ' ' THR . 24.4 m170 -107.12 170.29 8.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.836 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.5 t -118.28 146.02 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.455 ' CD2' HD12 ' A' ' 49' ' ' LEU . 57.5 m-85 -156.71 176.46 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.7 m -100.21 172.84 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.4 t -64.88 -43.23 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -79.01 -55.87 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.3 m -42.79 -71.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.455 HD12 ' CD2' ' A' ' 44' ' ' PHE . 14.0 tp -44.75 -53.75 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -44.29 -43.56 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.55 -44.6 86.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.5 p -58.31 -40.13 81.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.3 mp -59.66 -48.91 79.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 pttm -75.7 -27.26 58.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -73.5 -63.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.58 154.52 46.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.457 ' O ' ' CG2' ' A' ' 58' ' ' THR . 3.3 m-20 -89.49 42.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 68.8 p -160.02 -178.9 7.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.425 ' N ' ' HA ' ' A' ' 63' ' ' ARG . 1.8 t -80.22 134.49 55.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 5.05 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.736 2.291 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.534 ' CG2' ' CE1' ' A' ' 42' ' ' HIS . 22.9 m -125.64 -51.38 1.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 64' ' ' LYS . 27.5 p -115.44 9.37 15.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HG3' ' C ' ' A' ' 62' ' ' CYS . 7.5 ppt_? 33.39 36.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' A' ' 65' ' ' LYS . 36.6 tttm -89.35 131.16 35.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -30.23 106.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.2 pt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.863 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t -120.06 86.82 2.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.837 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 t -63.03 -48.77 77.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.28 49.91 2.32 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.3 p -88.11 137.11 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.956 0.408 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -117.74 90.15 3.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.44 -156.52 32.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.9 p -105.91 -47.35 3.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.332 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.78 -151.09 8.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 11' ' ' ARG . 11.3 mt -128.34 130.22 47.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -35.86 142.04 0.31 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 0.0 110.875 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.75 3.17 2.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.73 2.287 . . . . 0.0 112.33 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 12' ' ' PRO . 70.4 m -33.49 -64.23 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.68 174.12 21.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.9 p -140.0 143.58 36.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 111.179 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.2 m -42.88 151.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -148.9 115.72 5.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.9 t -101.42 118.33 60.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.661 0.743 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -14.38 36.0 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.721 2.281 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.6 mm -73.31 -56.75 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 22' ' ' MET . 24.5 p -103.44 2.14 33.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' CYS . 4.1 ptt? 36.59 48.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -117.97 159.11 23.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.13 -157.37 1.89 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.528 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.416 ' CE2' HG23 ' A' ' 29' ' ' VAL . 32.4 t80 -88.91 -59.79 2.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.93 0.395 . . . . 0.0 110.956 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.4 p -41.2 -54.97 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -48.96 -60.77 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 90.2 mt -49.15 -52.93 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.416 HG23 ' CE2' ' A' ' 25' ' ' TYR . 6.3 m -84.65 29.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -100.06 44.28 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.5 t30 66.72 41.69 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -136.89 -48.32 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -146.36 156.45 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -99.3 143.41 29.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.1 mm -73.62 110.16 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.91 167.12 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.7 p -135.41 163.68 29.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.9 p -127.43 164.46 21.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -71.51 -48.28 49.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.7 p -38.75 -37.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.54 37.07 1.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -131.06 160.02 35.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.4 t -109.75 138.58 36.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.497 ' CG ' HD13 ' A' ' 49' ' ' LEU . 89.7 m-85 -146.33 178.38 8.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.1 m -102.53 167.13 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.3 t -59.77 -54.05 50.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.5 -59.63 2.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.1 m -40.63 -67.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.497 HD13 ' CG ' ' A' ' 44' ' ' PHE . 14.9 tp -52.92 -63.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -40.33 -34.99 0.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 11.9 t70 -77.01 -40.28 47.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' LEU . 37.8 t -56.54 -52.04 66.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.41 ' N ' HD13 ' A' ' 53' ' ' LEU . 10.4 mp -47.11 -36.12 7.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' CE ' ' HA ' ' A' ' 51' ' ' ASP . 44.8 mtmt -70.15 -43.99 69.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -80.24 -69.12 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' ASN . . . -114.17 95.09 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' ALA . 86.3 m-20 -36.81 -52.98 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.0 p -65.5 160.98 21.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.8 t -59.33 135.21 88.46 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.36 2.83 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.354 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.2 m -117.03 -69.68 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.4 p -84.44 -24.58 29.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 58.24 49.8 10.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' LYS . 14.2 tttp -113.86 143.2 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' LYS . 8.7 mmmm -37.72 102.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.7 pt -126.38 130.35 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -161.6 130.42 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 68' ' ' HIS . 7.5 p80 -113.68 88.81 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.6 m -92.64 151.97 19.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.89 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.1 p -56.5 102.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.5 131.78 34.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.443 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 t -85.57 113.17 21.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.852 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -76.51 160.64 29.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.921 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.54 -157.25 44.96 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.1 p -89.1 155.23 19.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 111.15 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.99 -124.09 1.5 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 11' ' ' ARG . 5.4 mp -110.57 98.52 7.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.348 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.451 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 13.6 mmm180 36.32 53.65 2.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.647 0.737 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 11' ' ' ARG . 53.7 Cg_endo -69.78 167.21 25.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.622 2.214 . . . . 0.0 112.361 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.6 m -107.39 -46.88 3.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.24 178.21 19.44 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 t -160.16 110.77 1.87 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.797 0.332 . . . . 0.0 111.132 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 33.6 m -67.78 145.93 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.9 p -154.85 116.48 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.1 t -98.11 119.12 62.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.747 . . . . 0.0 110.851 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -16.24 37.33 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -73.4 -67.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -83.07 -24.41 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.6 mtp 57.42 46.14 18.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.73 178.44 5.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.45 -172.39 45.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.442 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.465 ' HB2' ' CG2' ' A' ' 16' ' ' VAL . 9.8 t80 -81.07 -62.52 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.936 0.398 . . . . 0.0 110.924 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.9 p -42.57 -44.13 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.28 -54.75 43.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.403 ' CG2' HD11 ' A' ' 35' ' ' ILE . 35.3 mt -58.04 -41.02 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.3 m -91.71 30.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 tm0? -100.6 72.32 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.7 t30 39.71 45.85 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.78 -51.87 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -134.85 -179.94 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.6 tp -128.01 165.59 20.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.403 HD11 ' CG2' ' A' ' 28' ' ' ILE . 48.7 mm -99.43 115.97 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.6 m -116.42 164.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.169 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.3 p -132.38 158.88 40.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.1 p -115.51 177.59 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -84.37 -48.55 9.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.4 p -40.78 -36.03 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.1 39.77 0.73 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.474 ' CE1' HG23 ' A' ' 61' ' ' THR . 8.8 m170 -128.11 176.41 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 110.839 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 68.0 t -127.57 138.28 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.457 ' CG ' HD12 ' A' ' 49' ' ' LEU . 71.0 m-85 -150.47 171.66 16.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.9 m -97.23 171.0 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.9 p -59.84 -62.3 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -62.32 -59.75 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.4 m -40.14 -65.34 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.457 HD12 ' CG ' ' A' ' 44' ' ' PHE . 15.5 tp -55.93 -51.87 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -50.08 -28.47 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -82.53 -32.31 28.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -79.02 -28.2 43.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.1 tp -58.0 -54.73 43.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 18.0 pttp -62.4 -48.3 80.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.45 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 40.9 t30 -48.11 -51.56 24.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.71 151.59 41.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -85.09 24.35 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.4 p -140.24 168.76 19.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.2 134.73 94.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 4.19 2.32 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.474 HG23 ' CE1' ' A' ' 42' ' ' HIS . 98.0 m -118.77 -69.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.24 -25.88 29.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.9 mtt85 64.21 38.35 8.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -97.19 147.79 23.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.8 99.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 pt -115.09 175.86 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -67.23 135.71 53.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.87 114.03 18.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -109.23 100.79 9.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -157.35 105.32 2.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.79 91.79 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -54.56 144.0 22.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -52.49 149.73 5.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.18 -120.72 4.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.8 p -115.34 118.85 34.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 111.18 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.41 -128.51 5.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.461 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.3 mm? -94.14 140.94 29.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -110.03 76.0 0.95 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 98.19 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.367 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.0 m -70.13 152.42 44.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.71 98.41 1.09 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.446 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.2 p -114.11 136.68 52.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.813 0.34 . . . . 0.0 111.14 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 34.4 m -72.48 161.74 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -166.95 120.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.1 t -103.3 118.11 58.59 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -18.9 36.75 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.9 mm -67.37 -54.5 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' MET . 28.1 p -106.78 3.53 26.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.417 ' C ' ' O ' ' A' ' 21' ' ' CYS . 5.8 ptm 36.25 49.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -118.58 166.17 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.29 -165.38 29.89 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.494 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.486 ' CE2' HG13 ' A' ' 35' ' ' ILE . 15.7 t80 -81.77 -54.73 5.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.974 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -49.23 -48.04 45.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.808 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -55.54 -54.94 37.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.9 mt -52.65 -51.16 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 m -84.11 25.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -94.92 74.33 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.4 p30 44.93 43.77 7.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.51 -83.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.16 -174.5 2.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.811 0.339 . . . . 0.0 110.879 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mt -119.63 166.01 13.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.486 HG13 ' CE2' ' A' ' 25' ' ' TYR . 47.2 mm -92.25 113.35 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 m -118.74 161.78 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.5 p -133.21 159.12 41.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.423 ' CG2' HD22 ' A' ' 49' ' ' LEU . 48.6 p -116.91 177.43 4.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.186 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -78.82 -47.52 16.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.9 p -42.57 -39.85 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.71 31.27 1.5 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -123.44 139.6 53.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.8 t -89.86 139.86 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -146.2 171.93 14.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.8 m -92.56 172.03 8.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.0 t -62.41 -48.5 79.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' CYS . 0.7 OUTLIER -79.03 -61.32 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' GLN . 71.2 m -35.22 -70.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.423 HD22 ' CG2' ' A' ' 38' ' ' THR . 12.0 tp -42.11 -61.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -44.81 -51.71 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -49.28 -39.59 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 p -69.17 -41.13 77.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.76 -45.72 92.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -62.09 -58.76 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -68.41 -70.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.55 -178.15 6.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -118.26 -44.0 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.6 p -98.08 170.73 8.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.0 t -51.25 135.61 30.93 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.607 0.718 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.78 3.38 2.82 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.375 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.4 m -117.61 -71.57 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.5 p -84.08 -25.25 29.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 61.81 49.87 4.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 66' ' ' ILE . 17.3 ttmt -107.05 146.35 31.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.54 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' LYS . 5.0 pt -111.77 -11.17 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -97.07 110.98 23.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -90.4 -45.77 8.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.0 tttm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -147.32 123.21 10.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 t -55.3 131.1 44.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.62 140.62 41.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 m -140.54 136.37 32.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -67.61 162.66 23.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.56 -179.03 16.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.5 m -131.06 121.83 25.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 111.121 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.7 134.27 9.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mp -117.56 78.9 1.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -128.89 148.3 68.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -179.52 2.98 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 14' ' ' GLY . 1.2 t -107.31 153.74 22.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 13' ' ' SER . . . -34.85 145.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.8 t -90.8 40.29 1.02 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.844 0.354 . . . . 0.0 111.156 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.8 m -119.56 168.44 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.2 p -169.0 114.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -105.68 119.12 53.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.65 0.738 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -13.53 34.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.307 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.3 mm -75.46 -67.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p -85.03 -20.65 30.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 17.7 mtp 53.54 49.58 19.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -121.2 173.32 7.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.472 ' O ' ' CD1' ' A' ' 28' ' ' ILE . . . -72.95 -159.03 4.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -90.31 -45.2 9.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 110.94 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.8 t -67.63 -35.67 79.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -65.31 -23.04 66.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 58.1 mt -88.99 -33.02 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 m -107.56 23.91 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -75.63 48.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 69.65 37.35 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.09 -81.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.472 ' CD ' ' HB2' ' A' ' 47' ' ' GLN . 41.5 mtt180 -97.33 178.92 5.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.912 0.387 . . . . 0.0 110.819 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tp -130.89 165.14 23.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.9 mm -91.38 113.91 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.418 HG23 ' C ' ' A' ' 45' ' ' CYS . 6.4 m -119.25 152.86 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 t -122.25 162.87 20.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.5 p -118.1 168.26 10.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -74.87 -45.34 43.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 p -41.22 -43.76 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.85 29.27 0.82 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -121.54 175.98 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 44' ' ' PHE . 55.6 t -126.69 139.66 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.457 ' N ' HG12 ' A' ' 43' ' ' VAL . 89.7 m-85 -148.43 175.93 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.418 ' C ' HG23 ' A' ' 36' ' ' VAL . 21.4 m -101.09 157.97 16.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.3 t -44.96 -59.4 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.472 ' HB2' ' CD ' ' A' ' 33' ' ' ARG . 4.9 mm100 -68.31 -62.87 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' GLN . 92.9 m -34.3 -66.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 tp -44.68 -61.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -47.09 -45.27 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.74 -34.64 69.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 p -76.83 -41.03 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.92 -44.83 91.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -68.72 -30.85 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -85.39 -68.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.16 -177.47 6.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -108.32 -32.28 7.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.6 p -120.35 172.08 8.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 54.0 t -46.18 134.59 7.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 4.51 2.16 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.9 m -118.58 -67.76 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.0 p -87.88 -22.33 24.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 58.18 49.1 11.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -108.62 160.41 15.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -54.8 102.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.0 pt -125.89 -26.39 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -133.78 128.95 35.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -93.03 120.73 33.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.3 tttp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 m -107.98 88.63 2.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m -140.19 127.56 21.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.798 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.41 101.17 0.27 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.439 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -106.76 104.2 13.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.941 0.4 . . . . 0.0 110.83 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.7 p -95.28 159.86 14.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.44 89.92 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -68.05 118.22 10.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 111.125 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.7 -52.16 0.72 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 pp -115.63 160.86 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.8 mtm-85 -103.47 140.94 21.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 135.05 29.52 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.4 t -94.96 131.94 40.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 45.97 76.4 0.13 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 88.1 m -85.12 131.62 34.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.815 0.341 . . . . 0.0 111.115 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.4 m -69.15 153.19 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.4 m -146.65 123.38 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.0 t -99.11 109.88 55.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -12.49 33.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 mm -75.01 -59.51 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.5 p -90.18 -31.24 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.9 mtm 58.7 51.04 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.419 ' HB3' ' CB ' ' A' ' 27' ' ' GLU . 1.3 m-20 -111.25 -60.91 1.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.22 144.88 6.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CD2' HG13 ' A' ' 35' ' ' ILE . 47.8 t80 -39.12 -57.29 1.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 110.923 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.9 p -47.88 -48.32 31.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' GLN . 5.5 mp0 -65.41 -60.58 2.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.442 HD13 ' CD1' ' A' ' 35' ' ' ILE . 20.1 mt -37.11 -54.86 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 30' ' ' GLN . 33.1 m -63.23 -32.69 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' GLU . 11.1 tt0 -67.49 -49.64 62.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -59.03 -58.46 8.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.97 48.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -135.67 161.16 36.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mt -100.54 152.36 20.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.447 HG13 ' CD2' ' A' ' 25' ' ' TYR . 35.2 mm -94.86 117.29 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.415 ' CG2' HD23 ' A' ' 49' ' ' LEU . 21.7 m -111.54 160.72 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.1 t -133.43 139.95 47.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.4 p -98.07 147.36 24.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.81 -30.21 66.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.2 p -52.9 -28.33 22.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.29 40.15 0.76 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.448 ' CE1' HG22 ' A' ' 61' ' ' THR . 31.6 m80 -140.13 176.66 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 44' ' ' PHE . 57.4 t -134.33 143.11 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.456 ' N ' HG13 ' A' ' 43' ' ' VAL . 29.9 m-85 -158.06 178.78 9.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 33.9 m -98.31 179.84 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.2 t -70.55 -47.18 61.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -78.9 -56.38 4.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.1 m -43.94 -66.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.446 HD12 ' CD2' ' A' ' 44' ' ' PHE . 11.9 tp -43.04 -61.86 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.93 -53.0 17.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -45.24 -32.58 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.0 m -83.49 -44.43 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.4 mt -54.08 -38.39 65.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -85.19 27.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -122.32 -65.24 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 57' ' ' ASN . . . -121.62 28.9 7.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.086 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.477 ' ND2' ' OD1' ' A' ' 67' ' ' ASN . 1.3 t30 35.29 43.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.2 p -158.4 176.08 12.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.409 ' C ' ' H ' ' A' ' 61' ' ' THR . 46.4 t -70.8 134.68 85.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 7.35 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.704 2.269 . . . . 0.0 112.402 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.448 HG22 ' CE1' ' A' ' 42' ' ' HIS . 98.2 m -124.01 -63.79 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -93.25 -18.76 22.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? 60.73 49.08 6.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -114.31 145.29 41.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -46.96 106.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.4 pt -126.62 -31.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.477 ' OD1' ' ND2' ' A' ' 57' ' ' ASN . 2.6 p30 -99.13 98.59 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -84.19 47.98 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.5 m -86.46 130.48 34.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.9 m -137.9 150.67 47.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.45 177.97 53.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -123.93 133.13 53.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -139.56 119.63 13.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.51 62.89 0.41 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.9 p -130.72 160.49 34.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 111.147 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.16 -138.37 9.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mp -138.36 106.53 5.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.485 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 14.7 mtm-85 -59.25 -60.24 11.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.655 0.741 . . . . 0.0 110.916 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 53.8 Cg_endo -69.78 174.98 8.72 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.707 2.272 . . . . 0.0 112.36 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.1 m -108.32 125.16 51.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.09 149.47 6.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.1 p -140.91 129.27 22.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.796 0.332 . . . . 0.0 111.138 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.44 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 12.6 m -89.39 132.6 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.3 m -131.47 107.02 8.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 t -96.85 119.64 63.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -22.26 32.45 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.633 2.222 . . . . 0.0 112.375 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.0 mm -63.77 -63.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 p -89.03 -23.14 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 42.7 mtm 58.14 47.01 15.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -127.78 158.42 37.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.47 -164.34 1.19 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.44 ' HB2' ' CG2' ' A' ' 16' ' ' VAL . 11.9 t80 -87.28 -61.56 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.874 0.368 . . . . 0.0 110.941 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.3 p -41.48 -40.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -63.99 -52.54 59.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.7 mt -50.85 -46.1 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -76.86 -5.88 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -72.45 -61.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -61.1 -46.85 88.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 133.7 62.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 86.9 mtm-85 -131.46 160.53 34.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tp -104.24 142.93 33.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.8 mm -85.45 109.74 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 36.0 m -104.71 158.21 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 m -133.92 137.95 45.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.1 p -95.4 161.45 14.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.164 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -72.67 -44.72 61.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.0 p -40.07 -37.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.47 35.87 0.77 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.488 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.554 ' CE1' HG23 ' A' ' 61' ' ' THR . 24.4 m80 -130.75 171.09 13.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 82.7 t -120.66 149.37 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.504 ' CD2' HD13 ' A' ' 49' ' ' LEU . 80.1 m-85 -154.1 -179.71 8.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 25.0 m -111.16 158.76 18.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 t -48.26 -53.17 18.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 48' ' ' CYS . 7.1 mm100 -72.09 -60.66 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 47' ' ' GLN . 83.3 m -37.09 -70.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.504 HD13 ' CD2' ' A' ' 44' ' ' PHE . 17.9 tp -49.12 -64.21 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' LEU . 57.9 mtt-85 -34.52 -43.44 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -64.3 -45.74 86.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 49' ' ' LEU . 47.0 t -67.65 -47.84 68.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.6 tp -44.71 -54.48 6.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -37.2 84.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -58.94 -47.39 85.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.54 154.51 28.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -84.13 40.13 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.3 p -146.46 159.52 43.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.1 t -71.7 134.51 83.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.717 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 4.15 2.38 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.554 HG23 ' CE1' ' A' ' 42' ' ' HIS . 62.0 m -117.31 -69.4 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.6 p -86.82 -25.27 24.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 63.43 43.58 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 66' ' ' ILE . 19.7 ttmt -93.77 151.11 19.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 65' ' ' LYS . 2.9 tmtt? -51.36 87.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 64' ' ' LYS . 6.3 pt -116.59 140.37 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -164.66 156.78 16.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -129.27 128.01 42.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -138.15 144.34 40.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -90.22 116.33 28.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.08 -81.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t 52.72 41.38 31.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.923 0.392 . . . . 0.0 110.856 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -54.58 116.65 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.64 163.48 28.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.8 t -82.14 40.98 0.65 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.817 0.342 . . . . 0.0 111.138 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.01 100.9 1.01 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tp -60.67 101.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -63.18 140.42 97.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -9.76 26.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.4 m -154.17 115.36 4.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 155.98 -64.94 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.4 p -90.33 173.32 8.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 111.124 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 m -81.98 171.35 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.5 p -174.65 117.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.7 t -87.21 119.86 71.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -20.01 35.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.244 . . . . 0.0 112.323 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.6 mm -69.11 -69.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 p -81.15 -30.96 34.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.6 mtm 57.55 49.32 12.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.2 -74.14 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.79 154.12 6.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.453 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.499 ' CE2' HG13 ' A' ' 35' ' ' ILE . 5.3 t80 -40.99 -68.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.925 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -48.5 -59.77 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.58 -33.46 1.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.0 mt -76.04 -42.61 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.6 m -89.81 20.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -105.36 71.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 64.66 37.17 7.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.38 -95.86 0.54 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -122.87 -175.68 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.379 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tt -109.04 166.31 10.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.499 HG13 ' CE2' ' A' ' 25' ' ' TYR . 14.6 mm -91.33 111.38 23.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.423 HG23 ' C ' ' A' ' 45' ' ' CYS . 22.4 m -114.67 165.86 9.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.5 p -133.37 167.79 19.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.8 p -122.0 170.28 9.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -84.65 -19.99 32.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.0 p -67.82 -25.36 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.7 36.33 2.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -132.78 174.39 10.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.473 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 56.2 t -124.45 149.59 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.473 ' CG ' ' O ' ' A' ' 43' ' ' VAL . 90.2 m-85 -159.58 179.08 9.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.423 ' C ' HG23 ' A' ' 36' ' ' VAL . 15.4 m -100.51 165.82 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -55.86 -58.84 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 48' ' ' CYS . 4.4 tp60 -69.61 -60.4 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 47' ' ' GLN . 83.3 m -35.59 -66.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 tp -43.65 -58.09 2.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 50' ' ' ARG . 8.7 mtp-105 -50.81 -45.01 59.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.78 -29.14 62.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 t -81.56 -39.43 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.51 -42.33 87.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -51.58 -46.93 63.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -81.81 -67.53 0.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.64 133.36 48.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.428 ' O ' ' CG2' ' A' ' 58' ' ' THR . 9.2 p30 -85.53 48.24 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 22.2 p -161.73 171.82 17.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 35.2 t -73.19 130.59 84.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.665 0.745 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.01 2.44 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.6 m -113.84 -63.48 1.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -91.25 -26.35 19.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 64.4 49.94 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' CG ' ' N ' ' A' ' 65' ' ' LYS . 26.7 tttp -111.39 169.26 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.456 ' N ' ' CG ' ' A' ' 64' ' ' LYS . 3.3 tppp? -64.85 101.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.9 pt -119.21 129.07 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -132.46 79.79 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -57.47 159.88 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.4 pttp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.919 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 p -127.2 129.32 47.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.338 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 p -155.17 135.57 13.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.7 122.86 5.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -68.13 149.63 49.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 t -168.38 134.74 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.06 49.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.433 HG21 ' N ' ' A' ' 9' ' ' GLY . 28.7 m -118.79 156.82 28.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 111.159 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.433 ' N ' HG21 ' A' ' 8' ' ' THR . . . 141.07 94.59 0.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mp -124.67 102.99 7.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.779 0.323 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -144.03 150.04 47.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -0.58 7.15 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.64 2.227 . . . . 0.0 112.335 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -66.32 106.09 1.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.6 90.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 m -77.72 54.91 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 111.113 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.5 m -105.94 131.32 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.0 p -136.68 110.61 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -73.76 118.0 65.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.618 0.723 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -12.57 33.19 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.364 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.9 mm -80.66 -70.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.2 p -81.53 -34.36 31.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.4 mtm 60.74 47.99 7.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -108.31 -69.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 28' ' ' ILE . . . 144.02 166.7 11.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.497 ' CE2' HG13 ' A' ' 35' ' ' ILE . 2.3 t80 -64.85 -50.91 64.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.37 . . . . 0.0 110.867 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.8 t -55.08 -41.06 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 28' ' ' ILE . 5.3 mm-40 -77.22 -64.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.476 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 19.6 mt -33.07 -46.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.3 m -75.3 -44.88 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -39.32 -48.43 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -67.84 -59.28 3.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 149.68 42.71 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.54 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.0 mmt-85 -120.73 142.83 49.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mp -88.46 153.84 20.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.497 HG13 ' CE2' ' A' ' 25' ' ' TYR . 49.6 mm -96.01 115.41 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.1 m -109.19 173.53 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.9 p -147.52 158.68 44.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.6 p -114.45 160.31 19.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -72.71 -33.82 66.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.3 p -50.68 -31.74 17.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.77 34.39 1.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.427 ' CE1' ' HB ' ' A' ' 61' ' ' THR . 21.9 m170 -130.4 165.82 21.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.1 t -118.79 144.62 26.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -152.77 168.88 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.1 m -90.28 172.46 8.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.5 p -64.0 -47.98 78.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -78.43 -58.41 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 75.4 m -39.28 -72.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 15.0 tp -43.83 -60.59 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -46.06 -33.31 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -68.1 -44.89 75.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.7 m -65.64 -24.17 66.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' CD2' ' O ' ' A' ' 49' ' ' LEU . 3.6 mm? -79.12 -47.04 16.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -80.84 -10.02 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -113.33 -61.82 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.3 179.47 7.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -99.94 -50.32 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' CYS . 18.1 p -128.1 170.23 13.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 63' ' ' ARG . 26.7 t -37.7 131.27 0.88 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.721 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 5.74 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.346 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.427 ' HB ' ' CE1' ' A' ' 42' ' ' HIS . 3.4 m -117.83 -67.52 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.0 p -86.97 -19.86 28.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 44.8 mmm-85 54.58 50.34 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -116.76 160.49 20.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -50.33 114.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 29.7 pt -132.5 134.74 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -85.84 138.86 31.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -83.61 99.45 10.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -158.43 165.56 34.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.829 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 p -88.35 -47.68 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.79 -141.07 40.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.6 m -58.25 169.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -117.52 -71.67 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.97 56.41 3.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.1 m 50.57 50.61 18.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 0.0 111.117 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.25 84.02 0.3 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.8 mt -77.13 111.19 12.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -107.09 104.04 50.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.622 0.725 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 114.93 3.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 t -75.55 91.81 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.78 152.92 15.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.534 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.4 p -105.92 85.82 2.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 111.178 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.2 m -113.86 116.19 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.5 p -126.65 109.7 12.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.5 t -99.73 123.46 47.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -25.92 27.98 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.359 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.8 mm -63.24 -65.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.9 p -83.82 -21.73 32.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.0 mtt 53.85 46.09 26.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -127.76 -177.31 4.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.27 -174.68 37.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.499 ' CZ ' HG13 ' A' ' 29' ' ' VAL . 88.1 t80 -66.81 -54.1 26.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.897 0.38 . . . . 0.0 110.894 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.426 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 26.3 t -50.17 -39.52 43.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.1 tm-20 -65.73 -42.33 91.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.3 mt -67.54 -48.04 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.499 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 25.0 m -66.7 -44.19 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' VAL . 15.0 mm-40 -34.16 -59.74 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 27' ' ' GLU . 1.4 p30 -61.72 -41.01 97.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' VAL . . . 117.45 54.85 0.3 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.45 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -119.03 174.86 6.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mt -111.91 156.4 22.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.7 mm -100.3 113.69 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.165 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.8 m -110.42 156.08 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.6 m -128.74 133.82 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 p -86.86 143.18 27.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -64.48 -24.79 67.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.3 p -61.06 -24.58 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.07 41.42 1.08 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.498 ' CE1' HG22 ' A' ' 61' ' ' THR . 24.3 m80 -142.58 165.14 28.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.0 t -116.61 140.06 40.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.518 ' CG ' HD12 ' A' ' 49' ' ' LEU . 97.6 m-85 -147.85 174.55 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.5 m -102.15 160.61 14.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.4 p -55.32 -47.85 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -74.01 -54.3 8.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 84.0 m -46.16 -67.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.518 HD12 ' CG ' ' A' ' 44' ' ' PHE . 12.7 tp -49.35 -58.18 5.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -42.78 -43.79 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -73.76 -37.83 64.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.5 t -59.49 -53.01 63.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 mp -43.86 -43.81 6.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.981 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -63.84 -53.32 52.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -67.22 -65.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.36 98.0 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -38.18 -46.46 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.2 p -90.19 172.61 8.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.6 t -54.2 134.37 60.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.43 ' HG2' ' CE1' ' A' ' 44' ' ' PHE . 54.2 Cg_endo -69.72 4.72 2.01 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.498 HG22 ' CE1' ' A' ' 42' ' ' HIS . 11.6 m -118.05 -71.34 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.7 p -88.05 -23.03 23.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 64.09 38.07 8.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -96.54 154.08 17.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -50.83 106.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.4 pt -128.02 158.3 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -158.22 105.49 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -100.83 107.72 19.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.9 tttp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 m -108.72 135.09 50.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.6 m -66.4 122.98 18.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.06 46.15 0.43 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 p -139.95 146.03 38.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.824 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.4 p -146.34 149.93 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.47 166.76 52.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.8 t -73.67 153.91 39.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.185 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.46 77.17 0.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.451 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.4 mt -49.47 151.96 1.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -151.84 133.52 8.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.581 0.705 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 115.14 3.95 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -76.13 55.57 0.95 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.75 97.26 1.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 t -61.8 142.92 57.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 111.108 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 15.5 m -109.0 166.4 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -169.26 106.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.0 t -92.51 118.93 68.23 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -16.27 37.48 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.703 2.268 . . . . 0.0 112.359 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.6 mm -75.2 -65.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.131 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 22' ' ' MET . 29.3 p -92.22 -30.72 15.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 26.4 ptm 45.08 41.44 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.42 -68.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 148.64 129.85 1.86 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.466 ' HB2' ' CG2' ' A' ' 16' ' ' VAL . 92.0 t80 -34.67 -43.09 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.424 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 74.3 m -52.68 -57.35 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.849 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.26 -46.5 86.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.419 HG23 ' CG ' ' A' ' 33' ' ' ARG . 65.1 mt -54.97 -40.8 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.172 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 26' ' ' SER . 16.0 m -76.64 -22.42 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 13.1 tm0? -71.61 68.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 12.4 p30 48.85 43.4 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.69 -73.09 0.56 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' CG ' HG23 ' A' ' 28' ' ' ILE . 9.5 ptt-85 -154.05 164.41 38.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.366 . . . . 0.0 110.85 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -91.04 158.62 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.554 ' CD1' ' N ' ' A' ' 35' ' ' ILE . 1.1 mp -88.1 109.12 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 44' ' ' PHE . 7.7 m -107.98 158.9 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 90.8 p -134.69 153.31 52.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.7 p -110.84 177.25 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -81.05 -34.9 32.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.8 p -51.03 -34.22 28.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.35 27.73 3.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.582 ' CE1' ' CG2' ' A' ' 61' ' ' THR . 13.1 m170 -115.45 177.05 4.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.839 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.6 t -124.71 139.78 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.502 ' CG ' HD12 ' A' ' 49' ' ' LEU . 58.4 m-85 -152.94 168.73 24.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.4 m -100.2 157.5 16.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 99.7 p -49.79 -48.7 50.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -69.52 -66.97 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 56.5 m -38.49 -70.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.502 HD12 ' CG ' ' A' ' 44' ' ' PHE . 14.9 tp -43.65 -62.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -45.93 -37.03 5.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.76 -32.97 66.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -71.18 -48.62 50.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.6 mp -45.3 -41.45 8.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 8.4 ptmm? -85.65 -42.31 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.455 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 3.1 t30 -64.74 -65.83 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.0 173.61 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -97.58 -33.89 11.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.424 ' HB ' ' C ' ' A' ' 63' ' ' ARG . 11.8 p -131.2 -176.03 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.434 ' HB3' ' N ' ' A' ' 63' ' ' ARG . 1.9 t -53.3 128.36 49.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.716 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 4.86 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.582 ' CG2' ' CE1' ' A' ' 42' ' ' HIS . 24.6 m -125.68 -50.43 1.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' LYS . 32.0 p -118.4 11.29 12.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.496 ' CD ' ' O ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER 31.7 37.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 62' ' ' CYS . 24.7 tttm -97.59 130.8 44.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.2 mmpt? -33.75 105.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 67' ' ' ASN . 38.8 pt -112.68 -40.59 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.464 ' N ' HG13 ' A' ' 66' ' ' ILE . 17.7 t-20 -80.44 -54.14 5.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 65.65 41.7 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 p -149.1 118.77 7.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.906 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.7 p -173.01 155.89 3.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.37 -131.3 49.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 t -172.46 111.7 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.368 . . . . 0.0 110.857 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -58.56 107.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.77 -151.33 8.04 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.5 p -154.09 166.37 33.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 111.157 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.84 83.7 0.76 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -85.44 156.32 20.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.21 140.54 1.08 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.6 0.714 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -42.08 3.74 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 t 64.85 36.35 7.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.42 76.71 0.26 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.8 t -111.08 135.97 50.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.158 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.1 m -85.58 169.65 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.6 m -158.26 124.85 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.4 t -104.04 118.14 57.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.732 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 -17.97 36.96 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.335 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.5 mm -66.86 -71.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.9 p -82.49 -31.54 29.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.1 mtm 61.11 49.68 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 23' ' ' ASP . 0.6 OUTLIER -100.57 -68.4 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.76 142.98 5.1 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.444 ' CZ ' HG13 ' A' ' 29' ' ' VAL . 34.1 t80 -40.58 -59.53 1.34 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.885 0.374 . . . . 0.0 110.933 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -46.69 -31.53 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' GLN . 12.1 tt0 -86.0 -63.35 1.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.0 mt -44.86 -41.21 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.444 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 15.4 m -76.47 -23.41 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' GLU . 32.3 tt0 -78.71 70.41 5.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 m120 58.25 41.91 22.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -115.08 -86.82 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.9 mtm-85 -144.29 -175.32 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.332 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tp -101.83 141.59 34.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.431 HD13 ' N ' ' A' ' 35' ' ' ILE . 1.4 mp -77.89 108.7 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.9 m -105.88 162.78 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.2 p -131.07 157.66 42.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.5 p -121.27 149.2 43.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' CYS . 4.2 pt-20 -52.22 -54.55 29.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' GLU . 21.1 p -35.03 -43.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.46 25.44 1.61 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.568 ' CE1' HG22 ' A' ' 61' ' ' THR . 12.5 m170 -114.0 170.9 7.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.492 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 56.7 t -120.07 149.19 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.492 ' CG ' ' O ' ' A' ' 43' ' ' VAL . 56.7 m-85 -159.96 178.11 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.4 m -103.78 157.04 17.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -47.34 -63.35 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -60.2 -58.35 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 84.6 m -42.97 -64.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' SER . 15.5 tp -56.49 -57.64 11.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -45.29 -35.61 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -81.57 -25.61 35.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' LEU . 6.3 t -75.77 -40.04 55.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.427 ' CD1' ' HG ' ' A' ' 49' ' ' LEU . 7.2 mp -51.86 -52.85 46.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -73.69 -51.34 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -52.76 -62.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.13 163.18 13.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -80.33 -40.22 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.425 ' HB ' ' C ' ' A' ' 63' ' ' ARG . 7.8 p -134.54 176.51 8.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.173 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.412 ' C ' ' H ' ' A' ' 61' ' ' THR . 10.6 t -37.64 133.61 0.81 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 8.35 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.73 2.286 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.568 HG22 ' CE1' ' A' ' 42' ' ' HIS . 62.4 m -124.44 -75.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.2 p -84.89 -14.93 46.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.425 ' C ' ' HB ' ' A' ' 58' ' ' THR . 26.0 mtm-85 58.33 52.37 7.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.31 152.09 18.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -50.14 94.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.4 pt -125.26 145.53 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -163.49 -178.61 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.433 ' CG ' ' N ' ' A' ' 69' ' ' LYS . 54.4 t60 -161.09 160.0 29.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.433 ' N ' ' CG ' ' A' ' 68' ' ' HIS . 18.3 tptm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.1 m -144.36 157.22 44.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 t -128.83 165.58 20.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.06 159.33 13.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -73.16 153.81 40.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.383 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 t -68.11 148.65 50.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.2 -178.69 0.38 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.5 m -121.49 159.6 25.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 111.126 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.13 -55.35 1.2 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.9 mt -81.34 139.76 35.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 110.918 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -47.53 145.09 4.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.597 0.713 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 106.28 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.3 t -92.47 140.39 29.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.815 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.56 96.09 1.84 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 m -83.2 49.6 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 111.147 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.3 m -114.46 163.75 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 t -159.25 129.7 5.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 22' ' ' MET . 43.2 t -95.6 121.24 62.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.673 0.749 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -14.85 36.79 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.6 mm -77.15 -56.7 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.8 p -95.15 -25.2 16.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' CYS . 67.9 mtt 62.87 49.49 3.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.2 161.6 29.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.0 -166.67 1.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.547 ' CE2' HG13 ' A' ' 35' ' ' ILE . 1.8 t80 -90.81 -41.89 10.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -56.96 -43.23 81.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.73 -52.93 62.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.7 mt -49.78 -62.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.45 HG12 ' CZ ' ' A' ' 25' ' ' TYR . 13.3 m -57.33 -33.09 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -62.48 -57.92 9.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -50.17 -45.72 53.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 129.85 44.26 0.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -125.66 154.3 42.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.2 139.9 32.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.547 HG13 ' CE2' ' A' ' 25' ' ' TYR . 35.8 mm -79.13 106.8 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.446 ' CG2' HD23 ' A' ' 49' ' ' LEU . 27.3 m -106.45 170.62 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.6 t -151.8 153.29 33.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.9 p -107.13 167.73 9.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 40' ' ' CYS . 13.8 pt-20 -69.52 -51.16 38.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' GLU . 14.3 p -36.81 -40.66 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.73 42.55 0.45 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 8.6 m80 -133.71 138.81 46.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.361 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.4 t -92.66 136.9 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 42' ' ' HIS . 92.1 m-85 -143.03 168.09 20.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 39.2 m -94.55 163.96 13.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.7 p -51.96 -57.28 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 48' ' ' CYS . 5.6 tt0 -69.87 -62.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 47' ' ' GLN . 74.6 m -34.48 -68.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.446 HD23 ' CG2' ' A' ' 36' ' ' VAL . 18.6 tp -50.28 -63.24 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.9 mtt-85 -38.94 -44.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.91 -44.92 94.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' LEU . 42.1 t -62.35 -34.11 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -69.23 -43.15 74.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -65.7 -59.41 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -73.78 -63.61 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.64 -177.25 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -124.14 -60.69 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' CYS . 64.2 p -87.23 159.05 18.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.179 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 58' ' ' THR . 16.7 t -35.59 130.29 0.56 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.718 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 6.32 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.631 2.221 . . . . 0.0 112.34 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.446 HG22 ' CE1' ' A' ' 42' ' ' HIS . 92.3 m -120.25 -60.6 1.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.9 p -95.38 -21.2 18.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.411 ' C ' ' HB ' ' A' ' 58' ' ' THR . 8.7 mtp180 59.79 40.9 18.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 65' ' ' LYS . 1.4 tmtp? -98.25 148.24 23.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 18.3 tptt -47.06 99.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 26.5 pt -112.3 -29.81 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -69.28 144.45 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.418 ' CE1' ' HB2' ' A' ' 69' ' ' LYS . 2.9 p80 -103.54 -38.09 7.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.425 ' HE3' ' C ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -144.5 167.69 21.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 t -152.67 156.19 38.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.85 -160.24 29.22 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.5 m -106.65 159.39 16.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 t -149.1 130.27 14.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.51 76.54 1.31 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.4 p -153.79 173.79 15.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 111.116 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.31 -69.5 1.54 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -52.7 140.67 22.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.943 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -137.04 148.23 61.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.722 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 152.28 68.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.308 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 t -116.01 45.88 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.802 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.84 61.08 0.46 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.2 p -77.55 114.26 16.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 111.122 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.407 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 12.6 m -103.67 147.7 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.8 m -146.23 113.2 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.7 t -95.51 119.37 65.37 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.671 0.748 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -20.02 35.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.254 . . . . 0.0 112.364 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -68.43 -62.94 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.4 p -88.96 -19.91 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.9 mtm 57.48 43.98 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -113.88 -179.63 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.82 -175.45 33.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.475 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.407 ' HB2' ' CG2' ' A' ' 16' ' ' VAL . 35.7 t80 -77.66 -42.58 34.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.913 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -64.89 -29.12 70.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.817 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -75.52 -56.45 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 38.1 mt -52.78 -43.21 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.9 m -74.05 -27.9 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -68.27 70.42 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 m120 51.26 48.85 22.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -123.02 -83.83 0.65 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.434 ' HD2' ' CB ' ' A' ' 47' ' ' GLN . 12.7 mmp_? -138.95 168.98 18.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.823 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp -94.35 133.34 38.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.8 mm -69.57 117.46 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 m -117.2 153.38 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.0 p -121.24 150.58 41.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.401 ' CG2' HD23 ' A' ' 49' ' ' LEU . 76.4 p -113.94 159.58 19.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -74.35 -45.15 48.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.408 ' HB3' ' CG2' ' A' ' 66' ' ' ILE . 24.5 p -39.28 -38.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.8 42.33 0.45 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.508 ' CE1' HG22 ' A' ' 61' ' ' THR . 23.2 m170 -139.7 -175.14 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 44' ' ' PHE . 57.8 t -135.74 143.34 36.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.44 ' N ' HG11 ' A' ' 43' ' ' VAL . 89.6 m-85 -153.84 -179.25 7.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 5.0 m -106.2 153.23 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.4 t -38.48 -71.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 48' ' ' CYS . 5.5 tp-100 -56.6 -66.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 47' ' ' GLN . 82.3 m -33.08 -63.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.418 ' HG ' ' CD2' ' A' ' 53' ' ' LEU . 14.1 tp -52.45 -59.18 4.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -44.79 -40.75 6.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.7 -42.47 97.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.404 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 47.1 t -70.38 -28.8 65.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.418 ' CD2' ' HG ' ' A' ' 49' ' ' LEU . 3.7 mm? -77.89 -40.9 38.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -71.89 -41.52 67.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -71.94 -38.05 69.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.458 ' N ' ' OD1' ' A' ' 55' ' ' ASN . . . -148.38 170.41 18.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -110.96 52.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.0 p -159.25 167.42 29.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.406 ' C ' ' H ' ' A' ' 61' ' ' THR . 44.0 t -84.23 135.05 42.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.409 ' HG2' ' CE1' ' A' ' 44' ' ' PHE . 53.6 Cg_endo -69.75 7.59 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.508 HG22 ' CE1' ' A' ' 42' ' ' HIS . 11.2 m -122.5 -71.52 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.2 p -79.03 -20.72 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 60.35 42.22 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -95.05 168.81 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.61 55.41 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.408 ' CG2' ' HB3' ' A' ' 40' ' ' CYS . 18.4 pt -65.31 132.82 31.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -170.64 112.87 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -69.6 89.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 69' ' ' LYS . 12.5 tmtt? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -63.63 97.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.91 0.386 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 t 63.91 42.28 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.82 150.85 38.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.1 p -132.66 93.31 3.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -135.41 174.58 10.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.99 -150.34 11.95 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 t -134.29 156.78 47.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 111.155 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.74 145.0 6.86 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.0 tp -129.61 125.45 36.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -150.2 133.22 8.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.672 0.749 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 142.07 47.12 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 p -173.65 179.78 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.526 ' O ' ' C ' ' A' ' 15' ' ' THR . . . -45.06 -24.72 0.86 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.526 ' C ' ' O ' ' A' ' 14' ' ' GLY . 7.1 t 26.53 52.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 111.134 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.0 m -93.96 165.7 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.146 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.52 125.56 4.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' MET . 47.2 t -100.58 120.52 55.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -8.6 24.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.5 mm -85.63 -54.11 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.147 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.455 ' SG ' ' CG ' ' A' ' 23' ' ' ASP . 7.7 p -99.72 -25.96 14.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 18' ' ' CYS . 52.6 mmm 67.06 55.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.455 ' CG ' ' SG ' ' A' ' 21' ' ' CYS . 26.2 p30 -128.16 161.9 28.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.98 -128.3 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -117.41 -43.75 2.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.924 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.3 t -61.5 -49.49 76.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -50.58 -55.97 13.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.9 mt -51.86 -53.49 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.4 m -79.73 10.63 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.164 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -80.82 55.81 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.2 t30 57.55 44.27 21.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.31 -57.02 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -145.76 165.9 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 tp -102.97 160.97 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.2 mm -89.7 112.78 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 44' ' ' PHE . 21.1 m -114.35 170.52 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.9 p -133.04 177.27 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.2 p -137.64 155.59 48.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 40' ' ' CYS . 19.9 tt0 -58.28 -53.2 61.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' GLU . 14.8 p -36.65 -42.56 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.19 29.65 1.44 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -118.02 174.87 5.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.794 0.33 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.3 t -118.49 142.4 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.468 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 96.8 m-85 -153.76 165.09 37.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.9 m -92.37 162.02 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 t -49.39 -65.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 48' ' ' CYS . 5.3 tp60 -61.75 -64.83 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 47' ' ' GLN . 69.5 m -33.81 -65.48 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.4 tp -50.15 -63.25 1.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -43.2 -36.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -67.57 -42.85 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 t -66.19 -24.57 66.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -78.44 -47.08 18.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -22.31 60.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -101.91 -68.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.49 169.77 17.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.069 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -96.59 -41.48 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 p -128.21 173.6 9.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.451 ' N ' HD12 ' A' ' 66' ' ' ILE . 37.0 t -42.33 132.99 2.69 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 3.4 2.8 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.8 m -114.72 -68.73 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.3 p -84.24 -31.74 24.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 70.67 43.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 65' ' ' LYS . 21.5 tttm -102.65 154.02 19.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 3.3 mmmm -50.5 108.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.451 HD12 ' N ' ' A' ' 59' ' ' CYS . 9.0 pt -134.23 122.27 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -175.18 151.6 1.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -130.17 32.29 4.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -94.76 115.82 27.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -149.98 148.4 29.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.06 66.67 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 m -151.46 151.38 31.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -100.36 177.41 5.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.82 92.62 1.61 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.8 m -103.6 95.31 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 111.159 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.95 -64.77 4.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.2 mt -63.22 102.2 0.37 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.747 0.308 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.3 mmt-85 -87.46 124.25 68.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 104.58 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.677 2.252 . . . . 0.0 112.347 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 56.2 p -98.33 145.21 26.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.02 47.87 0.23 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.6 p -145.22 138.09 26.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 111.167 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.6 m -77.61 147.23 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.4 p -142.36 113.68 7.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.7 t -101.9 122.75 46.18 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -23.43 30.76 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.7 mm -66.18 -64.99 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.8 p -83.64 -24.72 31.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 23.3 mtt 56.23 43.61 26.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -127.4 171.02 11.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.25 -168.32 18.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -84.11 -49.54 8.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.921 0.391 . . . . 0.0 110.967 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -48.45 -45.36 36.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.5 -56.4 22.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.9 mt -49.15 -50.79 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.2 m -70.1 -25.03 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -68.13 -61.89 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -48.8 -42.25 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.16 44.53 0.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 47' ' ' GLN . 11.5 mmt180 -122.07 171.73 8.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.926 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.9 mt -120.06 152.47 37.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.1 mm -91.56 122.3 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.1 m -120.25 167.51 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.7 p -138.15 147.84 44.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.4 p -103.98 172.8 6.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 40' ' ' CYS . 5.9 mm-40 -74.33 -54.66 7.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' GLU . 15.6 p -35.11 -42.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.77 39.38 0.53 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.485 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 10.1 m80 -127.4 155.9 42.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.2 t -107.58 138.13 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.563 ' CD2' HD11 ' A' ' 49' ' ' LEU . 90.7 m-85 -148.29 176.16 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 55.1 m -99.8 171.93 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.7 t -64.6 -52.4 57.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 33' ' ' ARG . 8.4 tt0 -71.97 -51.61 21.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.4 m -46.28 -68.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.563 HD11 ' CD2' ' A' ' 44' ' ' PHE . 12.1 tp -54.66 -48.05 72.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -49.34 -40.75 36.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -75.31 -34.78 61.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 m -65.06 -42.65 94.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.6 mp -48.92 -52.41 24.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -73.86 -46.19 46.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.452 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 53.5 t30 -54.45 -69.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.34 -176.85 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -100.84 -44.06 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 59' ' ' CYS . 14.7 p -121.9 171.7 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' THR . 5.9 t -34.54 130.99 0.44 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 7.5 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.419 HG22 ' CE1' ' A' ' 42' ' ' HIS . 54.7 m -121.13 -66.38 1.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.3 p -90.88 -19.19 23.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 59.44 51.24 6.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -112.07 147.89 35.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -42.47 110.56 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.0 pt -130.8 134.73 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -130.37 123.49 30.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -45.42 -58.77 3.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -68.3 -55.55 11.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.907 0.384 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t 53.26 42.21 32.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.01 -81.67 0.48 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t 45.63 42.3 8.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.927 0.394 . . . . 0.0 110.841 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -70.83 121.04 17.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.86 172.7 17.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 9' ' ' GLY . 24.7 m -108.11 113.59 26.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 8' ' ' THR . . . -36.32 148.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.7 mt -45.84 167.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -118.8 144.0 34.75 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 131.01 20.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.9 p -70.9 171.44 10.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.12 83.18 1.17 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.5 t -142.54 150.41 40.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.783 0.325 . . . . 0.0 111.142 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.39 158.54 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.102 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.2 t -158.95 129.44 5.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.6 t -74.72 118.72 72.42 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.732 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -13.37 34.48 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.309 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.2 mm -77.36 -67.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 p -83.9 -26.97 28.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 62.7 mtm 59.31 53.68 5.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.18 -64.59 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.52 146.65 5.23 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.448 ' CE1' HG12 ' A' ' 29' ' ' VAL . 1.2 t80 -42.95 -54.01 4.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.914 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -60.24 -46.46 89.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -63.02 -23.58 67.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.5 mt -80.67 -67.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.448 HG12 ' CE1' ' A' ' 25' ' ' TYR . 27.8 m -45.51 -30.85 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -76.19 -58.48 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -45.81 -75.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.78 39.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -131.48 148.56 52.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tp -91.5 157.82 16.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.427 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 40.0 mm -97.46 118.64 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 45' ' ' CYS . 7.0 m -121.46 166.52 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.8 p -136.22 160.14 39.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.2 p -115.63 176.26 5.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' CYS . 2.8 pp20? -81.75 -48.31 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' GLU . 18.3 p -36.39 -41.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.04 33.53 0.68 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.564 ' CE1' HG23 ' A' ' 61' ' ' THR . 22.4 m80 -130.07 172.69 11.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.456 HG11 ' N ' ' A' ' 44' ' ' PHE . 44.1 t -126.18 142.93 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.456 ' N ' HG11 ' A' ' 43' ' ' VAL . 38.8 m-85 -149.52 169.46 20.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.474 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 29.8 m -86.01 -176.87 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -69.36 -61.46 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 48' ' ' CYS . 19.2 mm-40 -67.96 -56.98 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 47' ' ' GLN . 59.7 m -37.12 -65.84 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 52' ' ' SER . 17.1 tp -51.87 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -40.11 -31.75 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -75.59 -39.61 57.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' LEU . 66.8 m -67.73 -22.93 65.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -70.44 -46.02 64.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -83.45 -33.95 25.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -72.26 -55.59 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.05 167.09 10.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -91.26 -47.86 7.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' CYS . 39.5 p -109.58 167.73 9.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' THR . 46.0 t -37.51 134.9 0.75 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 4.68 2.05 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.229 . . . . 0.0 112.391 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.564 HG23 ' CE1' ' A' ' 42' ' ' HIS . 86.6 m -120.78 -72.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.2 p -80.21 -24.82 39.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' C ' ' HB ' ' A' ' 58' ' ' THR . 22.2 mtt85 62.66 42.75 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -103.95 145.87 29.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.35 105.3 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.1 pt -122.21 -21.38 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -70.29 141.32 52.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -146.75 150.54 35.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 t -116.5 144.09 44.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 p -113.09 42.43 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.67 139.28 10.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -124.7 112.71 17.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 m -103.85 122.05 44.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.87 -118.37 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.9 p -70.18 165.85 21.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.349 . . . . 0.0 111.156 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.46 130.71 10.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.04 117.13 29.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -95.86 156.15 37.58 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.565 0.698 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 165.19 31.83 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.353 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.4 p -59.42 141.89 53.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.18 -40.16 0.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' VAL . 74.9 p -57.7 164.58 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 111.146 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.41 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 28.6 m -35.77 146.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.6 m -146.1 105.66 3.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 22' ' ' MET . 35.2 t -94.08 115.65 65.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.73 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -15.25 37.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.728 2.286 . . . . 0.0 112.345 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.7 mm -74.72 -60.66 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' SG ' ' CG ' ' A' ' 23' ' ' ASP . 29.4 p -102.56 -26.87 13.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' CYS . 19.0 ptt? 44.35 39.57 3.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 23' ' ' ASP . 1.1 p30 -71.3 -66.13 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 146.73 129.66 2.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' GLY . 19.3 t80 -32.17 -53.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.918 0.39 . . . . 0.0 110.944 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.2 p -60.36 -55.59 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -48.07 -62.69 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.432 ' CG1' ' OD2' ' A' ' 23' ' ' ASP . 19.7 mt -43.92 -63.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 30' ' ' GLN . 14.6 m -55.87 -28.35 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 35.5 tt0 -72.78 68.83 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 1.0 OUTLIER 48.78 40.96 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 33' ' ' ARG . . . -115.02 -59.05 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.453 ' CG ' ' O ' ' A' ' 32' ' ' GLY . 76.5 mtt85 -162.06 177.5 9.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.452 HD23 ' N ' ' A' ' 35' ' ' ILE . 4.8 tt -96.76 148.4 22.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.452 ' N ' HD23 ' A' ' 34' ' ' LEU . 48.7 mm -93.48 116.74 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.06 162.67 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 p -131.57 143.61 50.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.5 p -112.36 168.83 9.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 40' ' ' CYS . 14.9 pt-20 -77.16 -49.24 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 39' ' ' GLU . 31.8 p -38.06 -41.6 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.54 38.98 0.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.494 ' CE1' HG23 ' A' ' 61' ' ' THR . 23.4 m170 -134.09 160.03 39.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.846 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.0 t -113.11 143.07 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -149.16 -174.96 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.1 m -116.16 148.49 40.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -38.12 -53.82 1.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -65.97 -59.63 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.5 m -43.63 -68.29 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.5 tp -49.5 -54.86 15.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -47.48 -41.49 20.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.04 -38.73 72.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -67.87 -36.41 80.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tp -50.35 -48.06 55.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -78.95 -44.37 22.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -60.82 -66.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.69 111.8 23.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -43.58 -44.82 6.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.8 p -96.88 177.0 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.7 t -55.22 134.55 68.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.708 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 2.98 3.02 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.494 HG23 ' CE1' ' A' ' 42' ' ' HIS . 18.9 m -115.68 -69.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.165 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.5 p -81.93 -29.26 32.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.3 mtm-85 67.83 45.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' LYS . 37.1 ttmt -115.88 138.19 51.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' LYS . 10.8 ttmt -36.84 105.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 67' ' ' ASN . 21.2 pt -126.0 -30.84 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.437 ' N ' HG13 ' A' ' 66' ' ' ILE . 64.0 t30 -91.14 125.39 35.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -89.08 101.97 14.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 t -110.14 121.7 45.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.791 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 t -119.89 143.09 48.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.52 -94.3 0.48 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 m -139.74 128.36 23.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.858 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 m -119.64 149.66 41.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.22 174.75 21.56 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.5 133.48 20.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.331 . . . . 0.0 111.185 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' LEU . . . 172.64 -77.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' GLY . 80.4 mt -34.28 146.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -81.1 131.82 58.35 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.628 0.728 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 13' ' ' SER . 53.5 Cg_endo -69.76 123.26 9.93 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.673 2.248 . . . . 0.0 112.331 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 12' ' ' PRO . 3.4 t -34.74 141.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.86 130.02 33.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.448 HG21 ' N ' ' A' ' 16' ' ' VAL . 73.0 m -127.18 141.71 51.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 111.15 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.448 ' N ' HG21 ' A' ' 15' ' ' THR . 35.1 m -57.76 146.49 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.9 p -139.35 109.99 6.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.7 t -95.8 120.69 62.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -21.05 34.02 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.3 mm -66.11 -65.31 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 p -86.44 -25.58 25.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.7 mmm 61.78 44.24 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -120.53 173.96 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.98 -177.74 50.02 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.431 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 15.0 t80 -69.77 -66.62 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.929 0.395 . . . . 0.0 110.934 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.2 p -40.18 -60.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -41.34 -44.5 2.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.28 -43.64 91.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.431 HG21 ' CZ ' ' A' ' 25' ' ' TYR . 15.9 m -95.03 27.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -94.52 38.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 72.95 42.9 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.04 -40.07 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.518 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.5 mtt-85 -150.87 169.43 21.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 110.884 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tt -112.89 158.05 20.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.7 mm -90.31 116.6 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.451 ' CG2' HD22 ' A' ' 49' ' ' LEU . 13.5 m -116.78 152.56 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 m -124.64 156.39 37.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.8 p -122.98 175.12 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' CYS . 15.3 pt-20 -83.38 -53.47 5.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' GLU . 22.0 p -34.59 -40.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.87 44.63 0.45 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.446 ' CE1' HG21 ' A' ' 61' ' ' THR . 26.1 m170 -141.41 144.57 34.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.8 t -101.47 136.37 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.554 ' CD2' HD11 ' A' ' 49' ' ' LEU . 53.0 m-85 -140.68 176.9 8.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.7 m -100.96 175.56 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -61.37 -61.49 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -65.51 -56.47 12.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.0 m -40.98 -65.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.554 HD11 ' CD2' ' A' ' 44' ' ' PHE . 15.4 tp -55.97 -56.75 16.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -50.1 -26.6 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -83.91 -34.81 24.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 56' ' ' ALA . 11.5 m -70.59 -30.3 66.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.2 mp -70.33 -56.4 6.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -35.16 77.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -84.53 -66.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 52' ' ' SER . . . -90.13 146.49 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.89 -46.38 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.422 ' HB ' ' C ' ' A' ' 63' ' ' ARG . 68.5 p -103.93 170.41 7.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.5 t -51.96 134.76 38.53 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.659 0.743 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 5.9 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.35 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.446 HG21 ' CE1' ' A' ' 42' ' ' HIS . 5.4 m -122.01 -71.04 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.8 p -84.84 -23.29 29.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.422 ' C ' ' HB ' ' A' ' 58' ' ' THR . 12.6 mmt180 65.25 54.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.408 ' CG ' ' H ' ' A' ' 65' ' ' LYS . 58.7 tttt -103.49 175.95 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.497 ' N ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -81.36 38.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 67' ' ' ASN . 35.1 pt -47.25 -35.75 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.463 ' N ' HG13 ' A' ' 66' ' ' ILE . 61.4 t30 -107.31 150.88 26.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -72.13 -49.89 32.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.3 tptt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 p -79.86 113.44 18.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 110.841 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -52.19 146.51 8.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.55 90.83 0.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.517 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -127.04 90.88 3.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.892 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -172.9 128.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.92 -179.29 52.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.6 m -135.77 142.7 44.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.102 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.2 105.47 0.2 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.8 mt -95.53 136.23 36.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.61 113.26 40.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.572 0.701 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -173.07 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.8 p -96.27 -58.45 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.76 105.82 2.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.1 m -117.51 103.7 10.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.803 0.335 . . . . 0.0 111.139 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.9 m -83.92 138.18 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.4 m -126.9 105.18 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.7 t -100.14 118.9 60.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -12.13 32.3 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.639 2.226 . . . . 0.0 112.373 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mm -78.26 -56.44 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 22' ' ' MET . 26.9 p -101.5 0.92 37.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 21' ' ' CYS . 6.0 ptt? 36.52 44.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -118.88 170.75 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.57 -164.76 40.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -79.09 -44.4 22.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 110.952 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.1 p -62.52 -35.23 78.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -69.96 -31.06 68.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.6 mt -79.91 -49.03 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.496 HG21 ' N ' ' A' ' 30' ' ' GLN . 18.2 m -68.01 -29.6 45.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.496 ' N ' HG21 ' A' ' 29' ' ' VAL . 20.4 tp60 -69.97 -67.32 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.488 ' OD1' ' CZ ' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -42.56 -34.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.65 62.25 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.488 ' CZ ' ' OD1' ' A' ' 31' ' ' ASN . 79.0 mtm-85 -143.98 161.18 39.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.71 162.99 12.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.8 mm -102.68 113.55 39.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -115.83 165.82 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 p -141.48 170.71 15.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.5 p -127.55 158.72 36.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -73.43 -13.79 61.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.6 p -71.97 -24.02 61.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.21 28.13 5.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.461 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.488 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . 22.6 m170 -127.17 144.93 50.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.2 t -103.01 142.22 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 42' ' ' HIS . 47.9 m-85 -147.92 -179.54 6.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 60.9 m -99.89 174.66 6.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.8 p -65.32 -46.87 78.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 48' ' ' CYS . 0.9 OUTLIER -81.29 -57.92 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' GLN . 73.8 m -34.15 -64.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.7 tp -55.74 -42.62 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.07 -50.81 68.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.07 -25.75 67.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 m -84.81 -21.89 29.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.3 tp -70.67 -45.96 64.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -73.71 -44.36 56.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -58.7 -67.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.36 178.91 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -105.83 -41.58 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.4 ' HB ' ' C ' ' A' ' 63' ' ' ARG . 42.9 p -104.39 170.08 8.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 45.8 t -46.59 135.21 7.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.647 0.737 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 4.39 2.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.2 m -119.88 -70.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 13.5 p -84.05 -24.09 30.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' C ' ' HB ' ' A' ' 58' ' ' THR . 33.5 mtm-85 61.53 36.82 16.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -91.3 152.1 20.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -49.42 101.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 pt -121.89 79.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -115.94 107.03 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -119.21 117.45 28.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.945 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 m -147.07 131.74 17.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.843 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -152.24 156.15 39.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.83 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.91 115.47 0.33 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 m -48.17 108.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.866 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 t -152.71 138.7 18.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.27 146.52 18.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.5 m -138.43 141.54 39.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.63 110.66 3.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.427 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 mt -66.42 85.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.333 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -120.36 127.44 26.31 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 130.65 19.73 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.0 m -110.1 133.15 53.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.64 139.42 9.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.9 m -88.08 73.93 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.33 . . . . 0.0 111.113 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.8 m -105.78 162.02 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.165 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.8 p -173.57 114.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.1 t -96.54 117.92 65.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.63 0.728 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -14.51 36.1 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.9 mm -74.65 -68.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.6 p -84.95 -8.66 58.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.1 mtt 42.33 53.58 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -128.63 173.58 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.87 -170.2 35.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.533 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 1.3 t80 -83.08 -43.92 15.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.6 p -62.16 -45.96 91.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -53.18 -53.73 46.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.3 mt -47.27 -62.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 30' ' ' GLN . 22.2 m -61.25 -26.88 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.407 ' N ' HG21 ' A' ' 29' ' ' VAL . 11.9 tp60 -50.29 -54.44 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -73.32 -37.34 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.79 -29.16 1.43 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.471 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.8 mtm-85 -48.91 155.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -116.84 168.83 9.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.6 mm -97.02 132.27 41.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 m -134.81 176.44 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.1 t -140.8 154.43 46.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -108.86 -176.12 2.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 40' ' ' CYS . 13.2 mp0 -77.93 -62.72 1.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 39' ' ' GLU . 31.3 p -34.95 -43.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.33 28.95 0.95 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.534 ' CE1' ' CG2' ' A' ' 61' ' ' THR . 24.4 m170 -107.12 170.29 8.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.836 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.5 t -118.28 146.02 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.455 ' CD2' HD12 ' A' ' 49' ' ' LEU . 57.5 m-85 -156.71 176.46 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.7 m -100.21 172.84 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.4 t -64.88 -43.23 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -79.01 -55.87 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.3 m -42.79 -71.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.455 HD12 ' CD2' ' A' ' 44' ' ' PHE . 14.0 tp -44.75 -53.75 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -44.29 -43.56 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.55 -44.6 86.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.5 p -58.31 -40.13 81.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.3 mp -59.66 -48.91 79.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 pttm -75.7 -27.26 58.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -73.5 -63.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.58 154.52 46.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.457 ' O ' ' CG2' ' A' ' 58' ' ' THR . 3.3 m-20 -89.49 42.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 68.8 p -160.02 -178.9 7.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.425 ' N ' ' HA ' ' A' ' 63' ' ' ARG . 1.8 t -80.22 134.49 55.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 5.05 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.736 2.291 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.534 ' CG2' ' CE1' ' A' ' 42' ' ' HIS . 22.9 m -125.64 -51.38 1.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 64' ' ' LYS . 27.5 p -115.44 9.37 15.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HG3' ' C ' ' A' ' 62' ' ' CYS . 7.5 ppt_? 33.39 36.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' A' ' 65' ' ' LYS . 36.6 tttm -89.35 131.16 35.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -30.23 106.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.2 pt -119.58 74.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' HIS . 56.1 m-80 -89.13 46.37 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' ASN . 1.2 t60 34.43 38.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.4 pttp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.425 HG22 ' HB2' ' A' ' 25' ' ' TYR . 17.2 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.831 0.348 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -148.9 115.72 5.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.9 t -101.42 118.33 60.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.661 0.743 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -14.38 36.0 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.721 2.281 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.505 HG21 ' HB3' ' A' ' 48' ' ' CYS . 11.6 mm -73.31 -56.75 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 22' ' ' MET . 24.5 p -103.44 2.14 33.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' CYS . 4.1 ptt? 36.59 48.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -117.97 159.11 23.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.13 -157.37 1.89 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.528 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.697 ' CE2' HG21 ' A' ' 29' ' ' VAL . 32.4 t80 -88.91 -59.79 2.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.93 0.395 . . . . 0.0 110.956 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.4 p -41.2 -54.97 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -48.96 -60.77 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.712 HG21 HD13 ' A' ' 35' ' ' ILE . 90.2 mt -49.15 -52.93 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.697 HG21 ' CE2' ' A' ' 25' ' ' TYR . 6.3 m -84.65 29.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -100.06 44.28 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.5 t30 66.72 41.69 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -136.89 -48.32 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -146.36 156.45 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -99.3 143.41 29.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.712 HD13 HG21 ' A' ' 28' ' ' ILE . 27.1 mm -73.62 110.16 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.91 167.12 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.7 p -135.41 163.68 29.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.9 p -127.43 164.46 21.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -71.51 -48.28 49.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.7 p -38.75 -37.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.54 37.07 1.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -131.06 160.02 35.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.4 t -109.75 138.58 36.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.515 ' CG ' HD13 ' A' ' 49' ' ' LEU . 89.7 m-85 -146.33 178.38 8.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.1 m -102.53 167.13 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.3 t -59.77 -54.05 50.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.5 -59.63 2.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.505 ' HB3' HG21 ' A' ' 20' ' ' ILE . 57.1 m -40.63 -67.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.515 HD13 ' CG ' ' A' ' 44' ' ' PHE . 14.9 tp -52.92 -63.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -40.33 -34.99 0.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.435 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 11.9 t70 -77.01 -40.28 47.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' LEU . 37.8 t -56.54 -52.04 66.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.4 mp -47.11 -36.12 7.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.435 ' CE ' ' HA ' ' A' ' 51' ' ' ASP . 44.8 mtmt -70.15 -43.99 69.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -80.24 -69.12 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.524 ' HB1' ' NH1' ' A' ' 63' ' ' ARG . . . -114.17 95.09 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' ALA . 86.3 m-20 -36.81 -52.98 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.0 p -65.5 160.98 21.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.8 t -59.33 135.21 88.46 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.36 2.83 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.354 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.2 m -117.03 -69.68 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.4 p -84.44 -24.58 29.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.524 ' NH1' ' HB1' ' A' ' 56' ' ' ALA . 14.5 mmt180 58.24 49.8 10.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.706 ' O ' HG23 ' A' ' 66' ' ' ILE . 14.2 tttp -113.86 143.2 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' LYS . 8.7 mmmm -37.72 102.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 64' ' ' LYS . 4.7 pt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.475 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 33.6 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.861 0.362 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.9 p -154.85 116.48 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.1 t -98.11 119.12 62.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.747 . . . . 0.0 110.851 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -16.24 37.33 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.478 HG21 ' HB3' ' A' ' 48' ' ' CYS . 29.8 mm -73.4 -67.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -83.07 -24.41 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.6 mtp 57.42 46.14 18.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.73 178.44 5.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.45 -172.39 45.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.442 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.786 ' CE1' HG21 ' A' ' 29' ' ' VAL . 9.8 t80 -81.07 -62.52 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.936 0.398 . . . . 0.0 110.924 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.9 p -42.57 -44.13 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.28 -54.75 43.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.3 mt -58.04 -41.02 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.786 HG21 ' CE1' ' A' ' 25' ' ' TYR . 15.3 m -91.71 30.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 tm0? -100.6 72.32 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.7 t30 39.71 45.85 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.78 -51.87 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 47' ' ' GLN . 22.7 mmt85 -134.85 -179.94 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 110.877 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.6 tp -128.01 165.59 20.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.7 mm -99.43 115.97 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.6 m -116.42 164.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.169 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.3 p -132.38 158.88 40.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.1 p -115.51 177.59 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -84.37 -48.55 9.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.4 p -40.78 -36.03 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.1 39.77 0.73 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -128.11 176.41 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 68.0 t -127.57 138.28 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.467 ' CG ' HD13 ' A' ' 49' ' ' LEU . 71.0 m-85 -150.47 171.66 16.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.9 m -97.23 171.0 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.9 p -59.84 -62.3 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.404 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 67.4 tp60 -62.32 -59.75 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.478 ' HB3' HG21 ' A' ' 20' ' ' ILE . 63.4 m -40.14 -65.34 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.467 HD13 ' CG ' ' A' ' 44' ' ' PHE . 15.5 tp -55.93 -51.87 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -50.08 -28.47 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -82.53 -32.31 28.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -79.02 -28.2 43.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.1 tp -58.0 -54.73 43.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 18.0 pttp -62.4 -48.3 80.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.463 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 40.9 t30 -48.11 -51.56 24.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.71 151.59 41.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -85.09 24.35 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.4 p -140.24 168.76 19.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.2 134.73 94.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 4.19 2.32 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 98.0 m -118.77 -69.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.24 -25.88 29.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.9 mtt85 64.21 38.35 8.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.432 ' O ' HG23 ' A' ' 66' ' ' ILE . 20.7 ttpt -97.19 147.79 23.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.8 99.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 64' ' ' LYS . 12.2 pt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.472 ' HB ' HG11 ' A' ' 43' ' ' VAL . 34.4 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.848 0.356 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -166.95 120.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.1 t -103.3 118.11 58.59 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -18.9 36.75 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.9 mm -67.37 -54.5 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' MET . 28.1 p -106.78 3.53 26.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.417 ' C ' ' O ' ' A' ' 21' ' ' CYS . 5.8 ptm 36.25 49.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -118.58 166.17 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.29 -165.38 29.89 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.494 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.742 ' O ' HG22 ' A' ' 29' ' ' VAL . 15.7 t80 -81.77 -54.73 5.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.974 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -49.23 -48.04 45.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.808 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -55.54 -54.94 37.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.483 HG21 HD13 ' A' ' 35' ' ' ILE . 58.9 mt -52.65 -51.16 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 25' ' ' TYR . 10.9 m -84.11 25.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -94.92 74.33 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 44.93 43.77 7.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.51 -83.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.16 -174.5 2.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.811 0.339 . . . . 0.0 110.879 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.429 ' H ' ' CB ' ' A' ' 46' ' ' SER . 6.6 mt -119.63 166.01 13.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.496 HG13 ' CE2' ' A' ' 25' ' ' TYR . 47.2 mm -92.25 113.35 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 m -118.74 161.78 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.5 p -133.21 159.12 41.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.6 p -116.91 177.43 4.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.186 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -78.82 -47.52 16.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.9 p -42.57 -39.85 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.71 31.27 1.5 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -123.44 139.6 53.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.472 HG11 ' HB ' ' A' ' 16' ' ' VAL . 87.8 t -89.86 139.86 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -146.2 171.93 14.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.8 m -92.56 172.03 8.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.429 ' CB ' ' H ' ' A' ' 34' ' ' LEU . 40.0 t -62.41 -48.5 79.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' CYS . 0.7 OUTLIER -79.03 -61.32 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' GLN . 71.2 m -35.22 -70.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.0 tp -42.11 -61.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -44.81 -51.71 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -49.28 -39.59 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 p -69.17 -41.13 77.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 53' ' ' LEU . 3.6 mm? -61.76 -45.72 92.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -62.09 -58.76 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -68.41 -70.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.55 -178.15 6.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -118.26 -44.0 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.6 p -98.08 170.73 8.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.0 t -51.25 135.61 30.93 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.607 0.718 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.78 3.38 2.82 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.375 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.4 m -117.61 -71.57 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.5 p -84.08 -25.25 29.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 61.81 49.87 4.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 66' ' ' ILE . 17.3 ttmt -107.05 146.35 31.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.54 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' LYS . 5.0 pt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.473 HG22 ' HB2' ' A' ' 25' ' ' TYR . 26.8 m . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.823 0.344 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.2 p -169.0 114.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -105.68 119.12 53.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.65 0.738 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -13.53 34.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.307 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.3 mm -75.46 -67.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p -85.03 -20.65 30.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 17.7 mtp 53.54 49.58 19.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -121.2 173.32 7.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.562 ' O ' HD12 ' A' ' 28' ' ' ILE . . . -72.95 -159.03 4.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.747 ' O ' HG22 ' A' ' 29' ' ' VAL . 5.5 t80 -90.31 -45.2 9.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 110.94 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.8 t -67.63 -35.67 79.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -65.31 -23.04 66.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 24' ' ' GLY . 58.1 mt -88.99 -33.02 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.747 HG22 ' O ' ' A' ' 25' ' ' TYR . 8.8 m -107.56 23.91 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -75.63 48.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 69.65 37.35 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.09 -81.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.483 ' CD ' ' HB2' ' A' ' 47' ' ' GLN . 41.5 mtt180 -97.33 178.92 5.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.912 0.387 . . . . 0.0 110.819 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tp -130.89 165.14 23.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.9 mm -91.38 113.91 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.43 HG22 ' C ' ' A' ' 45' ' ' CYS . 6.4 m -119.25 152.86 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 t -122.25 162.87 20.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.5 p -118.1 168.26 10.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -74.87 -45.34 43.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 p -41.22 -43.76 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.85 29.27 0.82 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -121.54 175.98 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.69 139.66 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -148.43 175.93 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.43 ' C ' HG22 ' A' ' 36' ' ' VAL . 21.4 m -101.09 157.97 16.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.3 t -44.96 -59.4 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.483 ' HB2' ' CD ' ' A' ' 33' ' ' ARG . 4.9 mm100 -68.31 -62.87 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' GLN . 92.9 m -34.3 -66.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 tp -44.68 -61.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -47.09 -45.27 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.74 -34.64 69.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 p -76.83 -41.03 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 53' ' ' LEU . 1.7 mm? -63.92 -44.83 91.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -68.72 -30.85 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -85.39 -68.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.16 -177.47 6.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -108.32 -32.28 7.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.6 p -120.35 172.08 8.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 54.0 t -46.18 134.59 7.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 4.51 2.16 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.9 m -118.58 -67.76 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.0 p -87.88 -22.33 24.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 58.18 49.1 11.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -108.62 160.41 15.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -54.8 102.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.0 pt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.894 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.749 ' HB ' HG11 ' A' ' 43' ' ' VAL . 25.4 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.875 0.369 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.4 m -146.65 123.38 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 46.0 t -99.11 109.88 55.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 18' ' ' CYS . 54.0 Cg_endo -69.74 -12.49 33.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 mm -75.01 -59.51 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.5 p -90.18 -31.24 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.9 mtm 58.7 51.04 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.428 ' HB3' ' CB ' ' A' ' 27' ' ' GLU . 1.3 m-20 -111.25 -60.91 1.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.22 144.88 6.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.449 ' CD2' HG13 ' A' ' 35' ' ' ILE . 47.8 t80 -39.12 -57.29 1.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 110.923 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.521 ' O ' HG22 ' A' ' 29' ' ' VAL . 66.9 p -47.88 -48.32 31.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' GLN . 5.5 mp0 -65.41 -60.58 2.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.649 HG21 HD13 ' A' ' 35' ' ' ILE . 20.1 mt -37.11 -54.86 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 26' ' ' SER . 33.1 m -63.23 -32.69 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' GLU . 11.1 tt0 -67.49 -49.64 62.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -59.03 -58.46 8.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.97 48.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -135.67 161.16 36.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mt -100.54 152.36 20.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.649 HD13 HG21 ' A' ' 28' ' ' ILE . 35.2 mm -94.86 117.29 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.448 HG22 ' C ' ' A' ' 45' ' ' CYS . 21.7 m -111.54 160.72 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.1 t -133.43 139.95 47.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.4 p -98.07 147.36 24.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.81 -30.21 66.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.2 p -52.9 -28.33 22.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.29 40.15 0.76 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.667 ' NE2' HG21 ' A' ' 61' ' ' THR . 31.6 m80 -140.13 176.66 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.749 HG11 ' HB ' ' A' ' 16' ' ' VAL . 57.4 t -134.33 143.11 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.491 ' CD2' HD13 ' A' ' 49' ' ' LEU . 29.9 m-85 -158.06 178.78 9.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.448 ' C ' HG22 ' A' ' 36' ' ' VAL . 33.9 m -98.31 179.84 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.2 t -70.55 -47.18 61.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -78.9 -56.38 4.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.1 m -43.94 -66.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.491 HD13 ' CD2' ' A' ' 44' ' ' PHE . 11.9 tp -43.04 -61.86 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.93 -53.0 17.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -45.24 -32.58 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.0 m -83.49 -44.43 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.4 mt -54.08 -38.39 65.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -85.19 27.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -122.32 -65.24 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 57' ' ' ASN . . . -121.62 28.9 7.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.086 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 58' ' ' THR . 1.3 t30 35.29 43.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 57' ' ' ASN . 27.2 p -158.4 176.08 12.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 46.4 t -70.8 134.68 85.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 7.35 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.704 2.269 . . . . 0.0 112.402 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.667 HG21 ' NE2' ' A' ' 42' ' ' HIS . 98.2 m -124.01 -63.79 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -93.25 -18.76 22.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? 60.73 49.08 6.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.75 ' O ' HG23 ' A' ' 66' ' ' ILE . 66.9 tttt -114.31 145.29 41.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -46.96 106.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.75 HG23 ' O ' ' A' ' 64' ' ' LYS . 44.4 pt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.679 HG11 HG21 ' A' ' 35' ' ' ILE . 12.6 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.85 0.357 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.3 m -131.47 107.02 8.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 t -96.85 119.64 63.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -22.26 32.45 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.633 2.222 . . . . 0.0 112.375 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.0 mm -63.77 -63.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 p -89.03 -23.14 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 42.7 mtm 58.14 47.01 15.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -127.78 158.42 37.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.47 -164.34 1.19 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.443 ' HB2' ' CG2' ' A' ' 16' ' ' VAL . 11.9 t80 -87.28 -61.56 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.874 0.368 . . . . 0.0 110.941 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.3 p -41.48 -40.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -63.99 -52.54 59.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.534 HG21 ' CD1' ' A' ' 35' ' ' ILE . 58.7 mt -50.85 -46.1 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -76.86 -5.88 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -72.45 -61.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -61.1 -46.85 88.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 133.7 62.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 86.9 mtm-85 -131.46 160.53 34.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tp -104.24 142.93 33.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.679 HG21 HG11 ' A' ' 16' ' ' VAL . 39.8 mm -85.45 109.74 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 36.0 m -104.71 158.21 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 m -133.92 137.95 45.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.1 p -95.4 161.45 14.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.164 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -72.67 -44.72 61.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.0 p -40.07 -37.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.47 35.87 0.77 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.488 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -130.75 171.09 13.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.506 HG11 ' HB ' ' A' ' 16' ' ' VAL . 82.7 t -120.66 149.37 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.507 ' CD2' HD13 ' A' ' 49' ' ' LEU . 80.1 m-85 -154.1 -179.71 8.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 25.0 m -111.16 158.76 18.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 t -48.26 -53.17 18.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 48' ' ' CYS . 7.1 mm100 -72.09 -60.66 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 47' ' ' GLN . 83.3 m -37.09 -70.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.507 HD13 ' CD2' ' A' ' 44' ' ' PHE . 17.9 tp -49.12 -64.21 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' LEU . 57.9 mtt-85 -34.52 -43.44 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -64.3 -45.74 86.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 49' ' ' LEU . 47.0 t -67.65 -47.84 68.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.6 tp -44.71 -54.48 6.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -62.38 -37.2 84.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.805 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 2.4 m120 -58.94 -47.39 85.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.54 154.51 28.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -84.13 40.13 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.3 p -146.46 159.52 43.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.1 t -71.7 134.51 83.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.717 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 4.15 2.38 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.0 m -117.31 -69.4 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.6 p -86.82 -25.27 24.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 63.43 43.58 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 66' ' ' ILE . 19.7 ttmt -93.77 151.11 19.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 65' ' ' LYS . 2.9 tmtt? -51.36 87.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 64' ' ' LYS . 6.3 pt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 m . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.841 0.353 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.5 p -174.65 117.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.7 t -87.21 119.86 71.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -20.01 35.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.244 . . . . 0.0 112.323 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.6 mm -69.11 -69.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 p -81.15 -30.96 34.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.6 mtm 57.55 49.32 12.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.2 -74.14 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.79 154.12 6.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.453 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.509 ' CZ ' HG13 ' A' ' 35' ' ' ILE . 5.3 t80 -40.99 -68.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.925 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.407 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 40.0 t -48.5 -59.77 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.58 -33.46 1.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 25' ' ' TYR . 18.0 mt -76.04 -42.61 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' A' ' 26' ' ' SER . 15.6 m -89.81 20.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.095 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -105.36 71.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 64.66 37.17 7.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.38 -95.86 0.54 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.414 ' HG2' ' CB ' ' A' ' 47' ' ' GLN . 1.2 mpt_? -122.87 -175.68 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.379 . . . . 0.0 110.852 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.826 HD23 ' H ' ' A' ' 35' ' ' ILE . 1.2 tt -109.04 166.31 10.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.826 ' H ' HD23 ' A' ' 34' ' ' LEU . 14.6 mm -91.33 111.38 23.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.4 m -114.67 165.86 9.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.5 p -133.37 167.79 19.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.8 p -122.0 170.28 9.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -84.65 -19.99 32.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.0 p -67.82 -25.36 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.7 36.33 2.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -132.78 174.39 10.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.473 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 56.2 t -124.45 149.59 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.473 ' CG ' ' O ' ' A' ' 43' ' ' VAL . 90.2 m-85 -159.58 179.08 9.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.4 m -100.51 165.82 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -55.86 -58.84 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 48' ' ' CYS . 4.4 tp60 -69.61 -60.4 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 47' ' ' GLN . 83.3 m -35.59 -66.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 tp -43.65 -58.09 2.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' A' ' 50' ' ' ARG . 8.7 mtp-105 -50.81 -45.01 59.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.78 -29.14 62.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 t -81.56 -39.43 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 53' ' ' LEU . 2.7 mm? -66.51 -42.33 87.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -51.58 -46.93 63.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -81.81 -67.53 0.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.64 133.36 48.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.614 ' O ' HG23 ' A' ' 58' ' ' THR . 9.2 p30 -85.53 48.24 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 57' ' ' ASN . 22.2 p -161.73 171.82 17.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 35.2 t -73.19 130.59 84.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.665 0.745 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.01 2.44 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.6 m -113.84 -63.48 1.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -91.25 -26.35 19.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 64.4 49.94 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 65' ' ' LYS . 26.7 tttp -111.39 169.26 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.472 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 3.3 tppp? -64.85 101.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.9 pt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.853 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.5 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.838 0.351 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.0 p -136.68 110.61 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -73.76 118.0 65.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.618 0.723 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -12.57 33.19 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.364 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.519 HD11 ' HG3' ' A' ' 60' ' ' PRO . 12.9 mm -80.66 -70.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.2 p -81.53 -34.36 31.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.4 mtm 60.74 47.99 7.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -108.31 -69.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.649 ' O ' HD12 ' A' ' 28' ' ' ILE . . . 144.02 166.7 11.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.719 ' O ' HG22 ' A' ' 29' ' ' VAL . 2.3 t80 -64.85 -50.91 64.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.37 . . . . 0.0 110.867 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.8 t -55.08 -41.06 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 28' ' ' ILE . 5.3 mm-40 -77.22 -64.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.649 HD12 ' O ' ' A' ' 24' ' ' GLY . 19.6 mt -33.07 -46.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 25' ' ' TYR . 33.3 m -75.3 -44.88 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.483 ' N ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -39.32 -48.43 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -67.84 -59.28 3.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 149.68 42.71 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.54 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.0 mmt-85 -120.73 142.83 49.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mp -88.46 153.84 20.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.516 HG13 ' CE2' ' A' ' 25' ' ' TYR . 49.6 mm -96.01 115.41 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.1 m -109.19 173.53 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.9 p -147.52 158.68 44.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.6 p -114.45 160.31 19.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -72.71 -33.82 66.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.3 p -50.68 -31.74 17.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.77 34.39 1.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.431 ' CE1' ' HB ' ' A' ' 61' ' ' THR . 21.9 m170 -130.4 165.82 21.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.1 t -118.79 144.62 26.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.448 ' CG ' HD13 ' A' ' 49' ' ' LEU . 90.2 m-85 -152.77 168.88 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.1 m -90.28 172.46 8.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.5 p -64.0 -47.98 78.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -78.43 -58.41 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 75.4 m -39.28 -72.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.476 ' O ' HD23 ' A' ' 53' ' ' LEU . 15.0 tp -43.83 -60.59 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -46.06 -33.31 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -68.1 -44.89 75.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.55 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 67.7 m -65.64 -24.17 66.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 49' ' ' LEU . 3.6 mm? -79.12 -47.04 16.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -80.84 -10.02 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -113.33 -61.82 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 52' ' ' SER . . . -81.3 179.47 7.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -99.94 -50.32 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' CYS . 18.1 p -128.1 170.23 13.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' THR . 26.7 t -37.7 131.27 0.88 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.721 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.519 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.8 Cg_endo -69.77 5.74 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.346 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.431 ' HB ' ' CE1' ' A' ' 42' ' ' HIS . 3.4 m -117.83 -67.52 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.0 p -86.97 -19.86 28.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 44.8 mmm-85 54.58 50.34 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.449 ' O ' HG23 ' A' ' 66' ' ' ILE . 72.9 tttt -116.76 160.49 20.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.411 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 9.0 mmtm -50.33 114.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 64' ' ' LYS . 29.7 pt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.559 ' O ' HG23 ' A' ' 16' ' ' VAL . 34.2 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.747 0.308 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.5 p -126.65 109.7 12.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.5 t -99.73 123.46 47.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -25.92 27.98 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.359 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.8 mm -63.24 -65.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.9 p -83.82 -21.73 32.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.0 mtt 53.85 46.09 26.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -127.76 -177.31 4.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.27 -174.68 37.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.593 ' CZ ' HG11 ' A' ' 29' ' ' VAL . 88.1 t80 -66.81 -54.1 26.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.897 0.38 . . . . 0.0 110.894 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.437 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 26.3 t -50.17 -39.52 43.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.1 tm-20 -65.73 -42.33 91.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.3 mt -67.54 -48.04 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.593 HG11 ' CZ ' ' A' ' 25' ' ' TYR . 25.0 m -66.7 -44.19 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.455 ' N ' HG23 ' A' ' 29' ' ' VAL . 15.0 mm-40 -34.16 -59.74 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 27' ' ' GLU . 1.4 p30 -61.72 -41.01 97.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' VAL . . . 117.45 54.85 0.3 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.45 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -119.03 174.86 6.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mt -111.91 156.4 22.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.526 HG21 HG11 ' A' ' 16' ' ' VAL . 30.7 mm -100.3 113.69 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.165 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.8 m -110.42 156.08 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.6 m -128.74 133.82 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 p -86.86 143.18 27.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -64.48 -24.79 67.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.3 p -61.06 -24.58 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.07 41.42 1.08 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -142.58 165.14 28.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.0 t -116.61 140.06 40.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.522 ' CG ' HD13 ' A' ' 49' ' ' LEU . 97.6 m-85 -147.85 174.55 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.5 m -102.15 160.61 14.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.4 p -55.32 -47.85 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -74.01 -54.3 8.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 84.0 m -46.16 -67.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.522 HD13 ' CG ' ' A' ' 44' ' ' PHE . 12.7 tp -49.35 -58.18 5.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -42.78 -43.79 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -73.76 -37.83 64.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.5 t -59.49 -53.01 63.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 mp -43.86 -43.81 6.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.981 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -63.84 -53.32 52.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -67.22 -65.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.36 98.0 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -38.18 -46.46 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.2 p -90.19 172.61 8.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.6 t -54.2 134.37 60.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.459 ' HG2' ' CE1' ' A' ' 44' ' ' PHE . 54.2 Cg_endo -69.72 4.72 2.01 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.6 m -118.05 -71.34 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.7 p -88.05 -23.03 23.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 64.09 38.07 8.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -96.54 154.08 17.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -50.83 106.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.4 pt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.844 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 15.5 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.823 0.344 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -169.26 106.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.0 t -92.51 118.93 68.23 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -16.27 37.48 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.703 2.268 . . . . 0.0 112.359 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.6 mm -75.2 -65.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.131 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 22' ' ' MET . 29.3 p -92.22 -30.72 15.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 26.4 ptm 45.08 41.44 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.42 -68.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 148.64 129.85 1.86 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.77 ' O ' HG13 ' A' ' 29' ' ' VAL . 92.0 t80 -34.67 -43.09 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.733 ' O ' HG22 ' A' ' 29' ' ' VAL . 74.3 m -52.68 -57.35 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.849 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.26 -46.5 86.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.817 HG23 ' HG3' ' A' ' 33' ' ' ARG . 65.1 mt -54.97 -40.8 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.172 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 25' ' ' TYR . 16.0 m -76.64 -22.42 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.45 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 13.1 tm0? -71.61 68.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 31' ' ' ASN . 1.8 p-10 48.85 43.4 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.69 -73.09 0.56 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.817 ' HG3' HG23 ' A' ' 28' ' ' ILE . 9.5 ptt-85 -154.05 164.41 38.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.366 . . . . 0.0 110.85 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -91.04 158.62 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 35' ' ' ILE . 1.1 mp -88.1 109.12 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 44' ' ' PHE . 7.7 m -107.98 158.9 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 90.8 p -134.69 153.31 52.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.7 p -110.84 177.25 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -81.05 -34.9 32.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.8 p -51.03 -34.22 28.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.35 27.73 3.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.596 ' CD2' ' HB ' ' A' ' 61' ' ' THR . 4.0 m-70 -115.45 177.05 4.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.839 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.6 t -124.71 139.78 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.507 ' CG ' HD13 ' A' ' 49' ' ' LEU . 58.4 m-85 -152.94 168.73 24.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.4 m -100.2 157.5 16.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 99.7 p -49.79 -48.7 50.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -69.52 -66.97 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 56.5 m -38.49 -70.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.507 HD13 ' CG ' ' A' ' 44' ' ' PHE . 14.9 tp -43.65 -62.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -45.93 -37.03 5.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.76 -32.97 66.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -71.18 -48.62 50.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.6 mp -45.3 -41.45 8.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 8.4 ptmm? -85.65 -42.31 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.464 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 3.1 t30 -64.74 -65.83 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.0 173.61 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -97.58 -33.89 11.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.427 ' HB ' ' C ' ' A' ' 63' ' ' ARG . 11.8 p -131.2 -176.03 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.448 ' HB3' ' N ' ' A' ' 63' ' ' ARG . 1.9 t -53.3 128.36 49.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.716 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 4.86 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.596 ' HB ' ' CD2' ' A' ' 42' ' ' HIS . 24.6 m -125.68 -50.43 1.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' LYS . 32.0 p -118.4 11.29 12.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.496 ' CD ' ' O ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER 31.7 37.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.858 ' O ' HG23 ' A' ' 66' ' ' ILE . 24.7 tttm -97.59 130.8 44.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.2 mmpt? -33.75 105.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.858 HG23 ' O ' ' A' ' 64' ' ' LYS . 38.8 pt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.806 0.336 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.6 m -158.26 124.85 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.4 t -104.04 118.14 57.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.732 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 -17.97 36.96 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.335 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.5 mm -66.86 -71.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.9 p -82.49 -31.54 29.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.1 mtm 61.11 49.68 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 23' ' ' ASP . 0.6 OUTLIER -100.57 -68.4 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.76 142.98 5.1 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.777 ' O ' HG22 ' A' ' 29' ' ' VAL . 34.1 t80 -40.58 -59.53 1.34 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.885 0.374 . . . . 0.0 110.933 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -46.69 -31.53 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 30' ' ' GLN . 12.1 tt0 -86.0 -63.35 1.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.405 HD11 ' OD1' ' A' ' 23' ' ' ASP . 14.0 mt -44.86 -41.21 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.777 HG22 ' O ' ' A' ' 25' ' ' TYR . 15.4 m -76.47 -23.41 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 27' ' ' GLU . 32.3 tt0 -78.71 70.41 5.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 m120 58.25 41.91 22.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -115.08 -86.82 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.9 mtm-85 -144.29 -175.32 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.332 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tp -101.83 141.59 34.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 35' ' ' ILE . 1.4 mp -77.89 108.7 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 44' ' ' PHE . 16.9 m -105.88 162.78 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.2 p -131.07 157.66 42.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.5 p -121.27 149.2 43.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' CYS . 4.2 pt-20 -52.22 -54.55 29.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' GLU . 21.1 p -35.03 -43.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.46 25.44 1.61 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -114.0 170.9 7.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.492 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 56.7 t -120.07 149.19 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.492 ' CG ' ' O ' ' A' ' 43' ' ' VAL . 56.7 m-85 -159.96 178.11 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.4 m -103.78 157.04 17.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -47.34 -63.35 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -60.2 -58.35 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 84.6 m -42.97 -64.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' SER . 15.5 tp -56.49 -57.64 11.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -45.29 -35.61 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -81.57 -25.61 35.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' LEU . 6.3 t -75.77 -40.04 55.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.436 ' CD1' ' HG ' ' A' ' 49' ' ' LEU . 7.2 mp -51.86 -52.85 46.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -73.69 -51.34 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -52.76 -62.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.13 163.18 13.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -80.33 -40.22 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.424 ' HB ' ' C ' ' A' ' 63' ' ' ARG . 7.8 p -134.54 176.51 8.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.173 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' THR . 10.6 t -37.64 133.61 0.81 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 8.35 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.73 2.286 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.4 m -124.44 -75.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.2 p -84.89 -14.93 46.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.424 ' C ' ' HB ' ' A' ' 58' ' ' THR . 26.0 mtm-85 58.33 52.37 7.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.662 ' O ' HG23 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -95.31 152.09 18.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -50.14 94.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 64' ' ' LYS . 32.4 pt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.865 0.364 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 t -159.25 129.7 5.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 22' ' ' MET . 43.2 t -95.6 121.24 62.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.673 0.749 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -14.85 36.79 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.413 HG21 ' HB3' ' A' ' 48' ' ' CYS . 28.6 mm -77.15 -56.7 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.8 p -95.15 -25.2 16.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' CYS . 67.9 mtt 62.87 49.49 3.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.2 161.6 29.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.0 -166.67 1.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.645 ' O ' HG22 ' A' ' 29' ' ' VAL . 1.8 t80 -90.81 -41.89 10.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -56.96 -43.23 81.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.73 -52.93 62.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.7 mt -49.78 -62.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 25' ' ' TYR . 13.3 m -57.33 -33.09 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -62.48 -57.92 9.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -50.17 -45.72 53.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 129.85 44.26 0.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -125.66 154.3 42.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 35' ' ' ILE . 0.4 OUTLIER -97.2 139.9 32.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.694 ' N ' HD13 ' A' ' 34' ' ' LEU . 35.8 mm -79.13 106.8 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.3 m -106.45 170.62 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.6 t -151.8 153.29 33.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.9 p -107.13 167.73 9.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 40' ' ' CYS . 13.8 pt-20 -69.52 -51.16 38.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' GLU . 14.3 p -36.81 -40.66 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.73 42.55 0.45 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.592 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 8.6 m80 -133.71 138.81 46.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.361 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.4 t -92.66 136.9 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 42' ' ' HIS . 92.1 m-85 -143.03 168.09 20.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 39.2 m -94.55 163.96 13.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.7 p -51.96 -57.28 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 48' ' ' CYS . 5.6 tt0 -69.87 -62.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 47' ' ' GLN . 74.6 m -34.48 -68.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.479 HD13 ' CG ' ' A' ' 44' ' ' PHE . 18.6 tp -50.28 -63.24 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.9 mtt-85 -38.94 -44.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.91 -44.92 94.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 42.1 t -62.35 -34.11 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 53' ' ' LEU . 1.3 mm? -69.23 -43.15 74.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -65.7 -59.41 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -73.78 -63.61 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 52' ' ' SER . . . -82.64 -177.25 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -124.14 -60.69 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' CYS . 64.2 p -87.23 159.05 18.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.179 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 58' ' ' THR . 16.7 t -35.59 130.29 0.56 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.718 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.422 ' HG2' ' CE1' ' A' ' 44' ' ' PHE . 53.0 Cg_endo -69.79 6.32 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.631 2.221 . . . . 0.0 112.34 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.3 m -120.25 -60.6 1.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.9 p -95.38 -21.2 18.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.411 ' C ' ' HB ' ' A' ' 58' ' ' THR . 8.7 mtp180 59.79 40.9 18.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.601 ' O ' HG23 ' A' ' 66' ' ' ILE . 1.4 tmtp? -98.25 148.24 23.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.467 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 18.3 tptt -47.06 99.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.601 HG23 ' O ' ' A' ' 64' ' ' LYS . 26.5 pt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.409 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 12.6 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.845 0.355 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.8 m -146.23 113.2 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.7 t -95.51 119.37 65.37 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.671 0.748 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -20.02 35.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.254 . . . . 0.0 112.364 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -68.43 -62.94 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.4 p -88.96 -19.91 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.9 mtm 57.48 43.98 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -113.88 -179.63 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.82 -175.45 33.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.475 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.666 ' O ' HG13 ' A' ' 29' ' ' VAL . 35.7 t80 -77.66 -42.58 34.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.913 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -64.89 -29.12 70.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.817 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -75.52 -56.45 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 33' ' ' ARG . 38.1 mt -52.78 -43.21 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.666 HG13 ' O ' ' A' ' 25' ' ' TYR . 5.9 m -74.05 -27.9 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -68.27 70.42 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 m120 51.26 48.85 22.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -123.02 -83.83 0.65 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HD2' ' CB ' ' A' ' 47' ' ' GLN . 12.7 mmp_? -138.95 168.98 18.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.823 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp -94.35 133.34 38.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.8 mm -69.57 117.46 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 m -117.2 153.38 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.0 p -121.24 150.58 41.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.4 p -113.94 159.58 19.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -74.35 -45.15 48.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.413 ' HB3' ' CG2' ' A' ' 66' ' ' ILE . 24.5 p -39.28 -38.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.8 42.33 0.45 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.477 ' CE1' ' HB ' ' A' ' 61' ' ' THR . 23.2 m170 -139.7 -175.14 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.8 t -135.74 143.34 36.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.437 ' CE1' ' HG2' ' A' ' 60' ' ' PRO . 89.6 m-85 -153.84 -179.25 7.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 5.0 m -106.2 153.23 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.4 t -38.48 -71.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.459 ' CB ' ' HD2' ' A' ' 33' ' ' ARG . 5.5 tp-100 -56.6 -66.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 47' ' ' GLN . 82.3 m -33.08 -63.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 53' ' ' LEU . 14.1 tp -52.45 -59.18 4.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -44.79 -40.75 6.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.7 -42.47 97.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.404 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 47.1 t -70.38 -28.8 65.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 49' ' ' LEU . 3.7 mm? -77.89 -40.9 38.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 7.4 ptmt -71.89 -41.52 67.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -71.94 -38.05 69.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.458 ' N ' ' OD1' ' A' ' 55' ' ' ASN . . . -148.38 170.41 18.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.525 ' O ' HG23 ' A' ' 58' ' ' THR . 43.2 t30 -110.96 52.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 57' ' ' ASN . 24.0 p -159.25 167.42 29.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.0 t -84.23 135.05 42.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.437 ' HG2' ' CE1' ' A' ' 44' ' ' PHE . 53.6 Cg_endo -69.75 7.59 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.477 ' HB ' ' CE1' ' A' ' 42' ' ' HIS . 11.2 m -122.5 -71.52 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.2 p -79.03 -20.72 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 60.35 42.22 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -95.05 168.81 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.61 55.41 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.413 ' CG2' ' HB3' ' A' ' 40' ' ' CYS . 18.4 pt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.586 HG22 ' HB2' ' A' ' 25' ' ' TYR . 26.0 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.851 0.358 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.52 125.56 4.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 22' ' ' MET . 47.2 t -100.58 120.52 55.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -8.6 24.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.5 mm -85.63 -54.11 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.147 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.455 ' SG ' ' CG ' ' A' ' 23' ' ' ASP . 7.7 p -99.72 -25.96 14.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' CYS . 52.6 mmm 67.06 55.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.565 ' OD1' HD11 ' A' ' 28' ' ' ILE . 26.2 p30 -128.16 161.9 28.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.404 ' O ' HD12 ' A' ' 28' ' ' ILE . . . -68.98 -128.3 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.753 ' O ' HG22 ' A' ' 29' ' ' VAL . 34.2 t80 -117.41 -43.75 2.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.924 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.3 t -61.5 -49.49 76.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -50.58 -55.97 13.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.565 HD11 ' OD1' ' A' ' 23' ' ' ASP . 62.9 mt -51.86 -53.49 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 25' ' ' TYR . 29.4 m -79.73 10.63 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.164 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -80.82 55.81 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.2 t30 57.55 44.27 21.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.31 -57.02 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -145.76 165.9 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 tp -102.97 160.97 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.2 mm -89.7 112.78 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 44' ' ' PHE . 21.1 m -114.35 170.52 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.9 p -133.04 177.27 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.2 p -137.64 155.59 48.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 40' ' ' CYS . 19.9 tt0 -58.28 -53.2 61.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' GLU . 14.8 p -36.65 -42.56 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.19 29.65 1.44 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -118.02 174.87 5.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.794 0.33 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.3 t -118.49 142.4 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.468 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 96.8 m-85 -153.76 165.09 37.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.9 m -92.37 162.02 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 t -49.39 -65.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 48' ' ' CYS . 5.3 tp60 -61.75 -64.83 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 47' ' ' GLN . 69.5 m -33.81 -65.48 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.4 tp -50.15 -63.25 1.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -43.2 -36.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -67.57 -42.85 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 3.7 t -66.19 -24.57 66.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 53' ' ' LEU . 1.1 mm? -78.44 -47.08 18.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -22.31 60.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -101.91 -68.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 52' ' ' SER . . . -76.49 169.77 17.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.069 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -96.59 -41.48 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 p -128.21 173.6 9.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.48 ' N ' HD11 ' A' ' 66' ' ' ILE . 37.0 t -42.33 132.99 2.69 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 3.4 2.8 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.8 m -114.72 -68.73 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.3 p -84.24 -31.74 24.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 70.67 43.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 65' ' ' LYS . 21.5 tttm -102.65 154.02 19.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.422 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 3.3 mmmm -50.5 108.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.48 HD11 ' N ' ' A' ' 59' ' ' CYS . 9.0 pt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.821 0.343 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.4 p -142.36 113.68 7.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.7 t -101.9 122.75 46.18 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -23.43 30.76 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.7 mm -66.18 -64.99 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.8 p -83.64 -24.72 31.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 23.3 mtt 56.23 43.61 26.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -127.4 171.02 11.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.25 -168.32 18.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.697 ' CZ ' HG11 ' A' ' 29' ' ' VAL . 30.0 t80 -84.11 -49.54 8.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.921 0.391 . . . . 0.0 110.967 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -48.45 -45.36 36.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.5 -56.4 22.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.9 mt -49.15 -50.79 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.697 HG11 ' CZ ' ' A' ' 25' ' ' TYR . 24.2 m -70.1 -25.03 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -68.13 -61.89 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -48.8 -42.25 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.16 44.53 0.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 47' ' ' GLN . 11.5 mmt180 -122.07 171.73 8.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.926 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.9 mt -120.06 152.47 37.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.1 mm -91.56 122.3 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.1 m -120.25 167.51 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.7 p -138.15 147.84 44.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.4 p -103.98 172.8 6.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 40' ' ' CYS . 5.9 mm-40 -74.33 -54.66 7.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' GLU . 15.6 p -35.11 -42.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.77 39.38 0.53 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.507 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 10.1 m80 -127.4 155.9 42.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.2 t -107.58 138.13 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.625 ' CG ' HD13 ' A' ' 49' ' ' LEU . 90.7 m-85 -148.29 176.16 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 55.1 m -99.8 171.93 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.7 t -64.6 -52.4 57.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 33' ' ' ARG . 8.4 tt0 -71.97 -51.61 21.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.4 m -46.28 -68.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.625 HD13 ' CG ' ' A' ' 44' ' ' PHE . 12.1 tp -54.66 -48.05 72.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -49.34 -40.75 36.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -75.31 -34.78 61.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 m -65.06 -42.65 94.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 49' ' ' LEU . 9.6 mp -48.92 -52.41 24.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -73.86 -46.19 46.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.461 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 53.5 t30 -54.45 -69.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.34 -176.85 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -100.84 -44.06 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 59' ' ' CYS . 14.7 p -121.9 171.7 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' THR . 5.9 t -34.54 130.99 0.44 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 7.5 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.7 m -121.13 -66.38 1.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.3 p -90.88 -19.19 23.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 59.44 51.24 6.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.62 ' O ' HG23 ' A' ' 66' ' ' ILE . 14.5 ttmm -112.07 147.89 35.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -42.47 110.56 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.62 HG23 ' O ' ' A' ' 64' ' ' LYS . 22.0 pt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.856 0.36 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.2 t -158.95 129.44 5.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.6 t -74.72 118.72 72.42 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.732 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -13.37 34.48 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.309 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.475 HG21 ' HB3' ' A' ' 48' ' ' CYS . 12.2 mm -77.36 -67.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 p -83.9 -26.97 28.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 62.7 mtm 59.31 53.68 5.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.18 -64.59 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.52 146.65 5.23 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.593 ' HA ' HD12 ' A' ' 28' ' ' ILE . 1.2 t80 -42.95 -54.01 4.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.914 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -60.24 -46.46 89.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -63.02 -23.58 67.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.765 HG23 ' HB2' ' A' ' 33' ' ' ARG . 17.5 mt -80.67 -67.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.493 HG11 ' HE1' ' A' ' 25' ' ' TYR . 27.8 m -45.51 -30.85 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -76.19 -58.48 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -45.81 -75.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.78 39.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.765 ' HB2' HG23 ' A' ' 28' ' ' ILE . 18.5 mmt85 -131.48 148.56 52.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tp -91.5 157.82 16.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.447 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 40.0 mm -97.46 118.64 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 45' ' ' CYS . 7.0 m -121.46 166.52 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.8 p -136.22 160.14 39.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.2 p -115.63 176.26 5.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.778 ' OE2' HG22 ' A' ' 66' ' ' ILE . 2.8 pp20? -81.75 -48.31 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' GLU . 18.3 p -36.39 -41.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.04 33.53 0.68 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -130.07 172.69 11.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.1 t -126.18 142.93 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.503 ' CD1' HD13 ' A' ' 49' ' ' LEU . 38.8 m-85 -149.52 169.46 20.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.474 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 29.8 m -86.01 -176.87 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -69.36 -61.46 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 48' ' ' CYS . 19.2 mm-40 -67.96 -56.98 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.475 ' HB3' HG21 ' A' ' 20' ' ' ILE . 59.7 m -37.12 -65.84 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.503 HD13 ' CD1' ' A' ' 44' ' ' PHE . 17.1 tp -51.87 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -40.11 -31.75 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -75.59 -39.61 57.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' LEU . 66.8 m -67.73 -22.93 65.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 53' ' ' LEU . 1.8 mm? -70.44 -46.02 64.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -83.45 -33.95 25.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -72.26 -55.59 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.05 167.09 10.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -91.26 -47.86 7.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' CYS . 39.5 p -109.58 167.73 9.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' THR . 46.0 t -37.51 134.9 0.75 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 4.68 2.05 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.229 . . . . 0.0 112.391 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.6 m -120.78 -72.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.2 p -80.21 -24.82 39.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.4 ' C ' ' HB ' ' A' ' 58' ' ' THR . 22.2 mtt85 62.66 42.75 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.52 ' O ' HG23 ' A' ' 66' ' ' ILE . 37.1 ttmt -103.95 145.87 29.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.35 105.3 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.778 HG22 ' OE2' ' A' ' 39' ' ' GLU . 9.1 pt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.896 ' HB ' HG11 ' A' ' 43' ' ' VAL . 28.6 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.801 0.334 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.6 m -146.1 105.66 3.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 22' ' ' MET . 35.2 t -94.08 115.65 65.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.73 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -15.25 37.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.728 2.286 . . . . 0.0 112.345 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.7 mm -74.72 -60.66 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' SG ' ' CG ' ' A' ' 23' ' ' ASP . 29.4 p -102.56 -26.87 13.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' CYS . 19.0 ptt? 44.35 39.57 3.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 23' ' ' ASP . 1.1 p30 -71.3 -66.13 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 146.73 129.66 2.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.715 ' HB2' HG22 ' A' ' 16' ' ' VAL . 19.3 t80 -32.17 -53.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.918 0.39 . . . . 0.0 110.944 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.587 ' O ' HG22 ' A' ' 29' ' ' VAL . 34.2 p -60.36 -55.59 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -48.07 -62.69 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.669 HG23 ' HB2' ' A' ' 33' ' ' ARG . 19.7 mt -43.92 -63.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 26' ' ' SER . 14.6 m -55.87 -28.35 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 35.5 tt0 -72.78 68.83 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 1.0 OUTLIER 48.78 40.96 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 33' ' ' ARG . . . -115.02 -59.05 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.669 ' HB2' HG23 ' A' ' 28' ' ' ILE . 76.5 mtt85 -162.06 177.5 9.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.632 HD23 ' N ' ' A' ' 35' ' ' ILE . 4.8 tt -96.76 148.4 22.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.632 ' N ' HD23 ' A' ' 34' ' ' LEU . 48.7 mm -93.48 116.74 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.06 162.67 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 p -131.57 143.61 50.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.5 p -112.36 168.83 9.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 40' ' ' CYS . 14.9 pt-20 -77.16 -49.24 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 39' ' ' GLU . 31.8 p -38.06 -41.6 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.54 38.98 0.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -134.09 160.03 39.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.846 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.896 HG11 ' HB ' ' A' ' 16' ' ' VAL . 98.0 t -113.11 143.07 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -149.16 -174.96 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.1 m -116.16 148.49 40.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -38.12 -53.82 1.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -65.97 -59.63 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.5 m -43.63 -68.29 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.5 tp -49.5 -54.86 15.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -47.48 -41.49 20.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.04 -38.73 72.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -67.87 -36.41 80.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tp -50.35 -48.06 55.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -78.95 -44.37 22.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -60.82 -66.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.69 111.8 23.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -43.58 -44.82 6.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.483 HG22 ' HA ' ' A' ' 65' ' ' LYS . 14.8 p -96.88 177.0 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.7 t -55.22 134.55 68.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.708 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 2.98 3.02 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.9 m -115.68 -69.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.165 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.5 p -81.93 -29.26 32.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.3 mtm-85 67.83 45.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.962 ' O ' HG23 ' A' ' 66' ' ' ILE . 37.1 ttmt -115.88 138.19 51.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.483 ' HA ' HG22 ' A' ' 58' ' ' THR . 10.8 ttmt -36.84 105.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.962 HG23 ' O ' ' A' ' 64' ' ' LYS . 21.2 pt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.724 HG22 ' HB2' ' A' ' 25' ' ' TYR . 35.1 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.778 0.323 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.9 p -139.35 109.99 6.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.7 t -95.8 120.69 62.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -21.05 34.02 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.433 HG21 ' HB3' ' A' ' 48' ' ' CYS . 25.3 mm -66.11 -65.31 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 p -86.44 -25.58 25.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.7 mmm 61.78 44.24 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -120.53 173.96 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.98 -177.74 50.02 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.724 ' HB2' HG22 ' A' ' 16' ' ' VAL . 15.0 t80 -69.77 -66.62 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.929 0.395 . . . . 0.0 110.934 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.2 p -40.18 -60.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -41.34 -44.5 2.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.28 -43.64 91.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.539 HG21 ' CZ ' ' A' ' 25' ' ' TYR . 15.9 m -95.03 27.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -94.52 38.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 72.95 42.9 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.04 -40.07 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.518 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.5 mtt-85 -150.87 169.43 21.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 110.884 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 35' ' ' ILE . 3.2 tt -112.89 158.05 20.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.797 ' N ' HD23 ' A' ' 34' ' ' LEU . 25.7 mm -90.31 116.6 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.5 m -116.78 152.56 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 m -124.64 156.39 37.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.8 p -122.98 175.12 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' CYS . 15.3 pt-20 -83.38 -53.47 5.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' GLU . 22.0 p -34.59 -40.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.87 44.63 0.45 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -141.41 144.57 34.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.8 t -101.47 136.37 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CD2' HD13 ' A' ' 49' ' ' LEU . 53.0 m-85 -140.68 176.9 8.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.7 m -100.96 175.56 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -61.37 -61.49 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -65.51 -56.47 12.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.433 ' HB3' HG21 ' A' ' 20' ' ' ILE . 61.0 m -40.98 -65.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.551 HD13 ' CD2' ' A' ' 44' ' ' PHE . 15.4 tp -55.97 -56.75 16.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -50.1 -26.6 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -83.91 -34.81 24.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 56' ' ' ALA . 11.5 m -70.59 -30.3 66.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.2 mp -70.33 -56.4 6.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -35.16 77.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -84.53 -66.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 52' ' ' SER . . . -90.13 146.49 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.89 -46.38 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.423 ' HB ' ' C ' ' A' ' 63' ' ' ARG . 68.5 p -103.93 170.41 7.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.5 t -51.96 134.76 38.53 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.659 0.743 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 5.9 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.35 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.4 m -122.01 -71.04 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.8 p -84.84 -23.29 29.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.423 ' C ' ' HB ' ' A' ' 58' ' ' THR . 12.6 mmt180 65.25 54.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -103.49 175.95 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' N ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -81.36 38.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.1 pt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 179.896 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.545 HG22 ' HB2' ' A' ' 25' ' ' TYR . 17.9 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.864 0.364 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.4 m -126.9 105.18 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.7 t -100.14 118.9 60.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -12.13 32.3 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.639 2.226 . . . . 0.0 112.373 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mm -78.26 -56.44 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.419 ' C ' ' HG2' ' A' ' 22' ' ' MET . 26.9 p -101.5 0.92 37.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.419 ' HG2' ' C ' ' A' ' 21' ' ' CYS . 6.0 ptt? 36.52 44.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -118.88 170.75 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.413 ' O ' HD12 ' A' ' 28' ' ' ILE . . . -86.57 -164.76 40.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.757 ' CZ ' HG11 ' A' ' 29' ' ' VAL . 47.9 t80 -79.09 -44.4 22.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 110.952 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.457 ' HA ' HG22 ' A' ' 29' ' ' VAL . 75.1 p -62.52 -35.23 78.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -69.96 -31.06 68.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 24' ' ' GLY . 43.6 mt -79.91 -49.03 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.757 HG11 ' CZ ' ' A' ' 25' ' ' TYR . 18.2 m -68.01 -29.6 45.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -69.97 -67.32 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.488 ' OD1' ' CZ ' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -42.56 -34.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.65 62.25 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.488 ' CZ ' ' OD1' ' A' ' 31' ' ' ASN . 79.0 mtm-85 -143.98 161.18 39.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.71 162.99 12.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.8 mm -102.68 113.55 39.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -115.83 165.82 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 p -141.48 170.71 15.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.5 p -127.55 158.72 36.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -73.43 -13.79 61.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.6 p -71.97 -24.02 61.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.21 28.13 5.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.461 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . 22.6 m170 -127.17 144.93 50.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.2 t -103.01 142.22 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' A' ' 42' ' ' HIS . 47.9 m-85 -147.92 -179.54 6.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 60.9 m -99.89 174.66 6.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.8 p -65.32 -46.87 78.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 48' ' ' CYS . 0.9 OUTLIER -81.29 -57.92 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' GLN . 73.8 m -34.15 -64.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.7 tp -55.74 -42.62 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.422 HH21 HD22 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -55.07 -50.81 68.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.07 -25.75 67.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 m -84.81 -21.89 29.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.422 HD22 HH21 ' A' ' 50' ' ' ARG . 6.3 tp -70.67 -45.96 64.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -73.71 -44.36 56.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -58.7 -67.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.36 178.91 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.413 ' OD1' HG23 ' A' ' 58' ' ' THR . 2.5 t-20 -105.83 -41.58 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.413 HG23 ' OD1' ' A' ' 57' ' ' ASN . 42.9 p -104.39 170.08 8.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 45.8 t -46.59 135.21 7.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.647 0.737 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 4.39 2.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.2 m -119.88 -70.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 13.5 p -84.05 -24.09 30.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.4 ' C ' ' HB ' ' A' ' 58' ' ' THR . 33.5 mtm-85 61.53 36.82 16.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -91.3 152.1 20.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -49.42 101.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 pt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.829 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.8 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.791 0.329 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.8 p -173.57 114.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.1 t -96.54 117.92 65.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.63 0.728 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -14.51 36.1 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.9 mm -74.65 -68.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.6 p -84.95 -8.66 58.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.1 mtt 42.33 53.58 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -128.63 173.58 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.87 -170.2 35.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.533 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 1.3 t80 -83.08 -43.92 15.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.6 p -62.16 -45.96 91.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -53.18 -53.73 46.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.463 HG23 ' HB2' ' A' ' 33' ' ' ARG . 50.3 mt -47.27 -62.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.2 m -61.25 -26.88 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -50.29 -54.44 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -73.32 -37.34 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.79 -29.16 1.43 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.471 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.463 ' HB2' HG23 ' A' ' 28' ' ' ILE . 74.8 mtm-85 -48.91 155.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.849 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' A' ' 34' ' ' LEU . 3.5 mm? -116.84 168.83 9.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.6 mm -97.02 132.27 41.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 m -134.81 176.44 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.1 t -140.8 154.43 46.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -108.86 -176.12 2.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 40' ' ' CYS . 13.2 mp0 -77.93 -62.72 1.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 39' ' ' GLU . 31.3 p -34.95 -43.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.33 28.95 0.95 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.534 ' CE1' ' CG2' ' A' ' 61' ' ' THR . 24.4 m170 -107.12 170.29 8.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.836 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.5 t -118.28 146.02 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.476 ' CD2' HD13 ' A' ' 49' ' ' LEU . 57.5 m-85 -156.71 176.46 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.7 m -100.21 172.84 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.4 t -64.88 -43.23 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -79.01 -55.87 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.3 m -42.79 -71.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.476 HD13 ' CD2' ' A' ' 44' ' ' PHE . 14.0 tp -44.75 -53.75 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.408 ' C ' ' HD3' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -44.29 -43.56 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.55 -44.6 86.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.5 p -58.31 -40.13 81.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.3 mp -59.66 -48.91 79.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 5.3 pttm -75.7 -27.26 58.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.403 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 57.3 t-20 -73.5 -63.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.58 154.52 46.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.473 ' O ' HG23 ' A' ' 58' ' ' THR . 3.3 m-20 -89.49 42.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 57' ' ' ASN . 68.8 p -160.02 -178.9 7.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.436 ' N ' ' HA ' ' A' ' 63' ' ' ARG . 1.8 t -80.22 134.49 55.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 5.05 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.736 2.291 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.534 ' CG2' ' CE1' ' A' ' 42' ' ' HIS . 22.9 m -125.64 -51.38 1.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 64' ' ' LYS . 27.5 p -115.44 9.37 15.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' CYS . 7.5 ppt_? 33.39 36.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.852 ' O ' HG23 ' A' ' 66' ' ' ILE . 36.6 tttm -89.35 131.16 35.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -30.23 106.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 64' ' ' LYS . 10.2 pt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t -120.06 86.82 2.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.837 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 t -63.03 -48.77 77.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.28 49.91 2.32 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.3 p -88.11 137.11 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.956 0.408 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -117.74 90.15 3.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.44 -156.52 32.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.9 p -105.91 -47.35 3.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.332 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.78 -151.09 8.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 11' ' ' ARG . 11.3 mt -128.34 130.22 47.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -35.86 142.04 0.31 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 0.0 110.875 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.75 3.17 2.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.73 2.287 . . . . 0.0 112.33 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 12' ' ' PRO . 70.4 m -33.49 -64.23 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.68 174.12 21.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.9 p -140.0 143.58 36.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 111.179 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.425 HG22 ' HB2' ' A' ' 25' ' ' TYR . 17.2 m -42.88 151.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -148.9 115.72 5.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.9 t -101.42 118.33 60.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.661 0.743 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -14.38 36.0 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.721 2.281 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.505 HG21 ' HB3' ' A' ' 48' ' ' CYS . 11.6 mm -73.31 -56.75 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 22' ' ' MET . 24.5 p -103.44 2.14 33.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' CYS . 4.1 ptt? 36.59 48.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -117.97 159.11 23.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.13 -157.37 1.89 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.528 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.697 ' CE2' HG21 ' A' ' 29' ' ' VAL . 32.4 t80 -88.91 -59.79 2.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.93 0.395 . . . . 0.0 110.956 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.4 p -41.2 -54.97 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -48.96 -60.77 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.712 HG21 HD13 ' A' ' 35' ' ' ILE . 90.2 mt -49.15 -52.93 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.697 HG21 ' CE2' ' A' ' 25' ' ' TYR . 6.3 m -84.65 29.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -100.06 44.28 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.5 t30 66.72 41.69 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -136.89 -48.32 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -146.36 156.45 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -99.3 143.41 29.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.712 HD13 HG21 ' A' ' 28' ' ' ILE . 27.1 mm -73.62 110.16 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.91 167.12 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.7 p -135.41 163.68 29.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.9 p -127.43 164.46 21.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -71.51 -48.28 49.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.7 p -38.75 -37.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.54 37.07 1.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -131.06 160.02 35.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.4 t -109.75 138.58 36.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.515 ' CG ' HD13 ' A' ' 49' ' ' LEU . 89.7 m-85 -146.33 178.38 8.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.1 m -102.53 167.13 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.3 t -59.77 -54.05 50.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.5 -59.63 2.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.505 ' HB3' HG21 ' A' ' 20' ' ' ILE . 57.1 m -40.63 -67.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD13 ' CG ' ' A' ' 44' ' ' PHE . 14.9 tp -52.92 -63.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -40.33 -34.99 0.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.435 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 11.9 t70 -77.01 -40.28 47.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' LEU . 37.8 t -56.54 -52.04 66.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.4 mp -47.11 -36.12 7.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.435 ' CE ' ' HA ' ' A' ' 51' ' ' ASP . 44.8 mtmt -70.15 -43.99 69.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -80.24 -69.12 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.524 ' HB1' ' NH1' ' A' ' 63' ' ' ARG . . . -114.17 95.09 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' ALA . 86.3 m-20 -36.81 -52.98 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.0 p -65.5 160.98 21.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.8 t -59.33 135.21 88.46 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.36 2.83 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.354 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.2 m -117.03 -69.68 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.4 p -84.44 -24.58 29.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.524 ' NH1' ' HB1' ' A' ' 56' ' ' ALA . 14.5 mmt180 58.24 49.8 10.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.706 ' O ' HG23 ' A' ' 66' ' ' ILE . 14.2 tttp -113.86 143.2 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' LYS . 8.7 mmmm -37.72 102.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 64' ' ' LYS . 4.7 pt -126.38 130.35 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -161.6 130.42 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.446 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 7.5 p80 -113.68 88.81 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.6 m -92.64 151.97 19.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.89 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.1 p -56.5 102.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.5 131.78 34.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.443 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 t -85.57 113.17 21.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.852 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -76.51 160.64 29.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.921 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.54 -157.25 44.96 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.1 p -89.1 155.23 19.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 111.15 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.99 -124.09 1.5 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 11' ' ' ARG . 5.4 mp -110.57 98.52 7.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.348 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.451 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 13.6 mmm180 36.32 53.65 2.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.647 0.737 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 11' ' ' ARG . 53.7 Cg_endo -69.78 167.21 25.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.622 2.214 . . . . 0.0 112.361 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.6 m -107.39 -46.88 3.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.24 178.21 19.44 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.577 ' O ' HG23 ' A' ' 15' ' ' THR . 10.0 t -160.16 110.77 1.87 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.797 0.332 . . . . 0.0 111.132 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.475 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 33.6 m -67.78 145.93 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.9 p -154.85 116.48 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.1 t -98.11 119.12 62.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.747 . . . . 0.0 110.851 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -16.24 37.33 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.478 HG21 ' HB3' ' A' ' 48' ' ' CYS . 29.8 mm -73.4 -67.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -83.07 -24.41 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.6 mtp 57.42 46.14 18.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.73 178.44 5.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.45 -172.39 45.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.442 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.786 ' CE1' HG21 ' A' ' 29' ' ' VAL . 9.8 t80 -81.07 -62.52 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.936 0.398 . . . . 0.0 110.924 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.9 p -42.57 -44.13 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.28 -54.75 43.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.3 mt -58.04 -41.02 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.786 HG21 ' CE1' ' A' ' 25' ' ' TYR . 15.3 m -91.71 30.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 tm0? -100.6 72.32 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.7 t30 39.71 45.85 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.78 -51.87 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 47' ' ' GLN . 22.7 mmt85 -134.85 -179.94 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 110.877 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.6 tp -128.01 165.59 20.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.7 mm -99.43 115.97 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.6 m -116.42 164.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.169 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.3 p -132.38 158.88 40.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.1 p -115.51 177.59 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -84.37 -48.55 9.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.4 p -40.78 -36.03 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.1 39.77 0.73 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -128.11 176.41 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 68.0 t -127.57 138.28 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.467 ' CG ' HD13 ' A' ' 49' ' ' LEU . 71.0 m-85 -150.47 171.66 16.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.9 m -97.23 171.0 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.9 p -59.84 -62.3 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.404 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 67.4 tp60 -62.32 -59.75 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.478 ' HB3' HG21 ' A' ' 20' ' ' ILE . 63.4 m -40.14 -65.34 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.467 HD13 ' CG ' ' A' ' 44' ' ' PHE . 15.5 tp -55.93 -51.87 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -50.08 -28.47 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -82.53 -32.31 28.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -79.02 -28.2 43.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.1 tp -58.0 -54.73 43.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 18.0 pttp -62.4 -48.3 80.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.463 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 40.9 t30 -48.11 -51.56 24.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.71 151.59 41.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -85.09 24.35 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.4 p -140.24 168.76 19.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.2 134.73 94.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 4.19 2.32 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 98.0 m -118.77 -69.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.24 -25.88 29.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.9 mtt85 64.21 38.35 8.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.432 ' O ' HG23 ' A' ' 66' ' ' ILE . 20.7 ttpt -97.19 147.79 23.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.8 99.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 64' ' ' LYS . 12.2 pt -115.09 175.86 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -67.23 135.71 53.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.87 114.03 18.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -109.23 100.79 9.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -157.35 105.32 2.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.79 91.79 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -54.56 144.0 22.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -52.49 149.73 5.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.18 -120.72 4.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.8 p -115.34 118.85 34.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 111.18 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.41 -128.51 5.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -94.14 140.94 29.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -110.03 76.0 0.95 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 98.19 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.367 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.0 m -70.13 152.42 44.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.71 98.41 1.09 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.446 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.2 p -114.11 136.68 52.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.813 0.34 . . . . 0.0 111.14 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.472 ' HB ' HG11 ' A' ' 43' ' ' VAL . 34.4 m -72.48 161.74 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -166.95 120.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.1 t -103.3 118.11 58.59 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -18.9 36.75 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.9 mm -67.37 -54.5 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' MET . 28.1 p -106.78 3.53 26.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.417 ' C ' ' O ' ' A' ' 21' ' ' CYS . 5.8 ptm 36.25 49.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -118.58 166.17 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.29 -165.38 29.89 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.494 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.742 ' O ' HG22 ' A' ' 29' ' ' VAL . 15.7 t80 -81.77 -54.73 5.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.974 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -49.23 -48.04 45.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.808 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -55.54 -54.94 37.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.483 HG21 HD13 ' A' ' 35' ' ' ILE . 58.9 mt -52.65 -51.16 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 25' ' ' TYR . 10.9 m -84.11 25.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -94.92 74.33 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 44.93 43.77 7.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.51 -83.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.16 -174.5 2.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.811 0.339 . . . . 0.0 110.879 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.429 ' H ' ' CB ' ' A' ' 46' ' ' SER . 6.6 mt -119.63 166.01 13.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.496 HG13 ' CE2' ' A' ' 25' ' ' TYR . 47.2 mm -92.25 113.35 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 m -118.74 161.78 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.5 p -133.21 159.12 41.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.6 p -116.91 177.43 4.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.186 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -78.82 -47.52 16.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.9 p -42.57 -39.85 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.71 31.27 1.5 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -123.44 139.6 53.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.472 HG11 ' HB ' ' A' ' 16' ' ' VAL . 87.8 t -89.86 139.86 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -146.2 171.93 14.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.8 m -92.56 172.03 8.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.429 ' CB ' ' H ' ' A' ' 34' ' ' LEU . 40.0 t -62.41 -48.5 79.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' CYS . 0.7 OUTLIER -79.03 -61.32 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' GLN . 71.2 m -35.22 -70.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.0 tp -42.11 -61.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -44.81 -51.71 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -49.28 -39.59 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 p -69.17 -41.13 77.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 53' ' ' LEU . 3.6 mm? -61.76 -45.72 92.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -62.09 -58.76 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -68.41 -70.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.55 -178.15 6.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -118.26 -44.0 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.6 p -98.08 170.73 8.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.0 t -51.25 135.61 30.93 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.607 0.718 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.78 3.38 2.82 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.375 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.4 m -117.61 -71.57 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.5 p -84.08 -25.25 29.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 61.81 49.87 4.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 66' ' ' ILE . 17.3 ttmt -107.05 146.35 31.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.54 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' LYS . 5.0 pt -111.77 -11.17 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -97.07 110.98 23.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -90.4 -45.77 8.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.0 tttm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -147.32 123.21 10.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 t -55.3 131.1 44.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.62 140.62 41.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 m -140.54 136.37 32.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -67.61 162.66 23.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.56 -179.03 16.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.5 m -131.06 121.83 25.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 111.121 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.7 134.27 9.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mp -117.56 78.9 1.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -128.89 148.3 68.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -179.52 2.98 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 14' ' ' GLY . 1.2 t -107.31 153.74 22.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 13' ' ' SER . . . -34.85 145.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.8 t -90.8 40.29 1.02 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.844 0.354 . . . . 0.0 111.156 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.473 HG22 ' HB2' ' A' ' 25' ' ' TYR . 26.8 m -119.56 168.44 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.2 p -169.0 114.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -105.68 119.12 53.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.65 0.738 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -13.53 34.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.307 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.3 mm -75.46 -67.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p -85.03 -20.65 30.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 17.7 mtp 53.54 49.58 19.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -121.2 173.32 7.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.562 ' O ' HD12 ' A' ' 28' ' ' ILE . . . -72.95 -159.03 4.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.747 ' O ' HG22 ' A' ' 29' ' ' VAL . 5.5 t80 -90.31 -45.2 9.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 110.94 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.8 t -67.63 -35.67 79.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -65.31 -23.04 66.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 24' ' ' GLY . 58.1 mt -88.99 -33.02 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.747 HG22 ' O ' ' A' ' 25' ' ' TYR . 8.8 m -107.56 23.91 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -75.63 48.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 69.65 37.35 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.09 -81.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.483 ' CD ' ' HB2' ' A' ' 47' ' ' GLN . 41.5 mtt180 -97.33 178.92 5.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.912 0.387 . . . . 0.0 110.819 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tp -130.89 165.14 23.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.9 mm -91.38 113.91 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.43 HG22 ' C ' ' A' ' 45' ' ' CYS . 6.4 m -119.25 152.86 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 t -122.25 162.87 20.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.5 p -118.1 168.26 10.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -74.87 -45.34 43.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 p -41.22 -43.76 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.85 29.27 0.82 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -121.54 175.98 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.69 139.66 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -148.43 175.93 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.43 ' C ' HG22 ' A' ' 36' ' ' VAL . 21.4 m -101.09 157.97 16.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.3 t -44.96 -59.4 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.483 ' HB2' ' CD ' ' A' ' 33' ' ' ARG . 4.9 mm100 -68.31 -62.87 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' GLN . 92.9 m -34.3 -66.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 tp -44.68 -61.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -47.09 -45.27 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.74 -34.64 69.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 p -76.83 -41.03 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 53' ' ' LEU . 1.7 mm? -63.92 -44.83 91.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -68.72 -30.85 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -85.39 -68.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.16 -177.47 6.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -108.32 -32.28 7.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.6 p -120.35 172.08 8.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 54.0 t -46.18 134.59 7.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 4.51 2.16 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.9 m -118.58 -67.76 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.0 p -87.88 -22.33 24.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 58.18 49.1 11.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -108.62 160.41 15.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -54.8 102.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.0 pt -125.89 -26.39 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -133.78 128.95 35.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -93.03 120.73 33.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.3 tttp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 m -107.98 88.63 2.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m -140.19 127.56 21.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.798 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.41 101.17 0.27 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.439 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -106.76 104.2 13.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.941 0.4 . . . . 0.0 110.83 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.7 p -95.28 159.86 14.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.44 89.92 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.504 ' O ' HG23 ' A' ' 8' ' ' THR . 9.9 t -68.05 118.22 10.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 111.125 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.7 -52.16 0.72 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 pp -115.63 160.86 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.8 mtm-85 -103.47 140.94 21.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 135.05 29.52 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.4 t -94.96 131.94 40.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 45.97 76.4 0.13 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 88.1 m -85.12 131.62 34.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.815 0.341 . . . . 0.0 111.115 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.749 ' HB ' HG11 ' A' ' 43' ' ' VAL . 25.4 m -69.15 153.19 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.4 m -146.65 123.38 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 46.0 t -99.11 109.88 55.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 18' ' ' CYS . 54.0 Cg_endo -69.74 -12.49 33.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 mm -75.01 -59.51 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.5 p -90.18 -31.24 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.9 mtm 58.7 51.04 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.428 ' HB3' ' CB ' ' A' ' 27' ' ' GLU . 1.3 m-20 -111.25 -60.91 1.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.22 144.88 6.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.449 ' CD2' HG13 ' A' ' 35' ' ' ILE . 47.8 t80 -39.12 -57.29 1.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 110.923 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.521 ' O ' HG22 ' A' ' 29' ' ' VAL . 66.9 p -47.88 -48.32 31.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' GLN . 5.5 mp0 -65.41 -60.58 2.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.649 HG21 HD13 ' A' ' 35' ' ' ILE . 20.1 mt -37.11 -54.86 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 26' ' ' SER . 33.1 m -63.23 -32.69 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' GLU . 11.1 tt0 -67.49 -49.64 62.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -59.03 -58.46 8.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.97 48.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -135.67 161.16 36.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mt -100.54 152.36 20.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.649 HD13 HG21 ' A' ' 28' ' ' ILE . 35.2 mm -94.86 117.29 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.448 HG22 ' C ' ' A' ' 45' ' ' CYS . 21.7 m -111.54 160.72 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.1 t -133.43 139.95 47.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.4 p -98.07 147.36 24.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.81 -30.21 66.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.2 p -52.9 -28.33 22.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.29 40.15 0.76 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.667 ' NE2' HG21 ' A' ' 61' ' ' THR . 31.6 m80 -140.13 176.66 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.749 HG11 ' HB ' ' A' ' 16' ' ' VAL . 57.4 t -134.33 143.11 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.491 ' CD2' HD13 ' A' ' 49' ' ' LEU . 29.9 m-85 -158.06 178.78 9.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.448 ' C ' HG22 ' A' ' 36' ' ' VAL . 33.9 m -98.31 179.84 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.2 t -70.55 -47.18 61.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -78.9 -56.38 4.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.1 m -43.94 -66.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.491 HD13 ' CD2' ' A' ' 44' ' ' PHE . 11.9 tp -43.04 -61.86 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.93 -53.0 17.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -45.24 -32.58 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.0 m -83.49 -44.43 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.4 mt -54.08 -38.39 65.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -85.19 27.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -122.32 -65.24 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 57' ' ' ASN . . . -121.62 28.9 7.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.086 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 58' ' ' THR . 4.5 t-20 35.29 43.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 57' ' ' ASN . 27.2 p -158.4 176.08 12.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 46.4 t -70.8 134.68 85.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 7.35 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.704 2.269 . . . . 0.0 112.402 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.667 HG21 ' NE2' ' A' ' 42' ' ' HIS . 98.2 m -124.01 -63.79 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -93.25 -18.76 22.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? 60.73 49.08 6.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.75 ' O ' HG23 ' A' ' 66' ' ' ILE . 66.9 tttt -114.31 145.29 41.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -46.96 106.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.75 HG23 ' O ' ' A' ' 64' ' ' LYS . 44.4 pt -126.62 -31.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.406 ' N ' HG13 ' A' ' 66' ' ' ILE . 2.6 p30 -99.13 98.59 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -84.19 47.98 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.5 m -86.46 130.48 34.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.9 m -137.9 150.67 47.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.45 177.97 53.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -123.93 133.13 53.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -139.56 119.63 13.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.51 62.89 0.41 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.9 p -130.72 160.49 34.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 111.147 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.482 ' C ' HD12 ' A' ' 10' ' ' LEU . . . -95.16 -138.37 9.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.482 HD12 ' C ' ' A' ' 9' ' ' GLY . 6.1 mp -138.36 106.53 5.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.498 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 14.7 mtm-85 -59.25 -60.24 11.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.655 0.741 . . . . 0.0 110.916 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 53.8 Cg_endo -69.78 174.98 8.72 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.707 2.272 . . . . 0.0 112.36 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.1 m -108.32 125.16 51.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.09 149.47 6.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.1 p -140.91 129.27 22.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.796 0.332 . . . . 0.0 111.138 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.679 HG11 HG21 ' A' ' 35' ' ' ILE . 12.6 m -89.39 132.6 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.3 m -131.47 107.02 8.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 t -96.85 119.64 63.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -22.26 32.45 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.633 2.222 . . . . 0.0 112.375 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.0 mm -63.77 -63.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 p -89.03 -23.14 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 42.7 mtm 58.14 47.01 15.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -127.78 158.42 37.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.47 -164.34 1.19 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.443 ' HB2' ' CG2' ' A' ' 16' ' ' VAL . 11.9 t80 -87.28 -61.56 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.874 0.368 . . . . 0.0 110.941 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.3 p -41.48 -40.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -63.99 -52.54 59.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.534 HG21 ' CD1' ' A' ' 35' ' ' ILE . 58.7 mt -50.85 -46.1 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -76.86 -5.88 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -72.45 -61.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -61.1 -46.85 88.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 133.7 62.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 86.9 mtm-85 -131.46 160.53 34.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tp -104.24 142.93 33.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.679 HG21 HG11 ' A' ' 16' ' ' VAL . 39.8 mm -85.45 109.74 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 36.0 m -104.71 158.21 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 m -133.92 137.95 45.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.1 p -95.4 161.45 14.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.164 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -72.67 -44.72 61.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.0 p -40.07 -37.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.47 35.87 0.77 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.488 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -130.75 171.09 13.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.506 HG11 ' HB ' ' A' ' 16' ' ' VAL . 82.7 t -120.66 149.37 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.507 ' CD2' HD13 ' A' ' 49' ' ' LEU . 80.1 m-85 -154.1 -179.71 8.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 25.0 m -111.16 158.76 18.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 t -48.26 -53.17 18.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 48' ' ' CYS . 7.1 mm100 -72.09 -60.66 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 47' ' ' GLN . 83.3 m -37.09 -70.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.507 HD13 ' CD2' ' A' ' 44' ' ' PHE . 17.9 tp -49.12 -64.21 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' LEU . 57.9 mtt-85 -34.52 -43.44 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -64.3 -45.74 86.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 49' ' ' LEU . 47.0 t -67.65 -47.84 68.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.6 tp -44.71 -54.48 6.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -62.38 -37.2 84.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.805 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 2.4 m120 -58.94 -47.39 85.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.54 154.51 28.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -84.13 40.13 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.3 p -146.46 159.52 43.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.1 t -71.7 134.51 83.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.717 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 4.15 2.38 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.0 m -117.31 -69.4 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.6 p -86.82 -25.27 24.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 63.43 43.58 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 66' ' ' ILE . 19.7 ttmt -93.77 151.11 19.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 65' ' ' LYS . 2.9 tmtt? -51.36 87.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 64' ' ' LYS . 6.3 pt -116.59 140.37 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -164.66 156.78 16.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -129.27 128.01 42.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -138.15 144.34 40.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -90.22 116.33 28.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.08 -81.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t 52.72 41.38 31.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.923 0.392 . . . . 0.0 110.856 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -54.58 116.65 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.64 163.48 28.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 8' ' ' THR . 14.8 t -82.14 40.98 0.65 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.817 0.342 . . . . 0.0 111.138 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.01 100.9 1.01 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tp -60.67 101.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -63.18 140.42 97.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -9.76 26.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.4 m -154.17 115.36 4.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 155.98 -64.94 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.4 p -90.33 173.32 8.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 111.124 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 m -81.98 171.35 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.5 p -174.65 117.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.7 t -87.21 119.86 71.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -20.01 35.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.244 . . . . 0.0 112.323 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.6 mm -69.11 -69.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 p -81.15 -30.96 34.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.6 mtm 57.55 49.32 12.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.2 -74.14 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.79 154.12 6.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.453 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.509 ' CZ ' HG13 ' A' ' 35' ' ' ILE . 5.3 t80 -40.99 -68.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.925 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.407 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 40.0 t -48.5 -59.77 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.58 -33.46 1.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 25' ' ' TYR . 18.0 mt -76.04 -42.61 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' A' ' 26' ' ' SER . 15.6 m -89.81 20.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.095 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -105.36 71.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 64.66 37.17 7.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.38 -95.86 0.54 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.414 ' HG2' ' CB ' ' A' ' 47' ' ' GLN . 1.2 mpt_? -122.87 -175.68 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.379 . . . . 0.0 110.852 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.826 HD23 ' H ' ' A' ' 35' ' ' ILE . 1.2 tt -109.04 166.31 10.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.826 ' H ' HD23 ' A' ' 34' ' ' LEU . 14.6 mm -91.33 111.38 23.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.4 m -114.67 165.86 9.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.5 p -133.37 167.79 19.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.8 p -122.0 170.28 9.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -84.65 -19.99 32.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.0 p -67.82 -25.36 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.7 36.33 2.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -132.78 174.39 10.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.473 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 56.2 t -124.45 149.59 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.473 ' CG ' ' O ' ' A' ' 43' ' ' VAL . 90.2 m-85 -159.58 179.08 9.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.4 m -100.51 165.82 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -55.86 -58.84 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 48' ' ' CYS . 4.4 tp60 -69.61 -60.4 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 47' ' ' GLN . 83.3 m -35.59 -66.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 tp -43.65 -58.09 2.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' A' ' 50' ' ' ARG . 8.7 mtp-105 -50.81 -45.01 59.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.78 -29.14 62.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 t -81.56 -39.43 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 53' ' ' LEU . 2.7 mm? -66.51 -42.33 87.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -51.58 -46.93 63.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -81.81 -67.53 0.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.64 133.36 48.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.614 ' O ' HG23 ' A' ' 58' ' ' THR . 9.2 p30 -85.53 48.24 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 57' ' ' ASN . 22.2 p -161.73 171.82 17.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 35.2 t -73.19 130.59 84.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.665 0.745 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.01 2.44 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.6 m -113.84 -63.48 1.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -91.25 -26.35 19.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 64.4 49.94 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 65' ' ' LYS . 26.7 tttp -111.39 169.26 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.472 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 3.3 tppp? -64.85 101.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.9 pt -119.21 129.07 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -132.46 79.79 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -57.47 159.88 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.4 pttp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.919 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 p -127.2 129.32 47.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.338 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 p -155.17 135.57 13.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.7 122.86 5.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -68.13 149.63 49.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 t -168.38 134.74 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.06 49.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 9' ' ' GLY . 28.7 m -118.79 156.82 28.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 111.159 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.452 ' N ' HG22 ' A' ' 8' ' ' THR . . . 141.07 94.59 0.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mp -124.67 102.99 7.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.779 0.323 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -144.03 150.04 47.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -0.58 7.15 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.64 2.227 . . . . 0.0 112.335 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -66.32 106.09 1.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.6 90.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 m -77.72 54.91 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 111.113 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.5 m -105.94 131.32 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.0 p -136.68 110.61 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -73.76 118.0 65.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.618 0.723 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -12.57 33.19 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.364 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.519 HD11 ' HG3' ' A' ' 60' ' ' PRO . 12.9 mm -80.66 -70.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.2 p -81.53 -34.36 31.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.4 mtm 60.74 47.99 7.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -108.31 -69.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.649 ' O ' HD12 ' A' ' 28' ' ' ILE . . . 144.02 166.7 11.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.719 ' O ' HG22 ' A' ' 29' ' ' VAL . 2.3 t80 -64.85 -50.91 64.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.37 . . . . 0.0 110.867 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.8 t -55.08 -41.06 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 28' ' ' ILE . 5.3 mm-40 -77.22 -64.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.649 HD12 ' O ' ' A' ' 24' ' ' GLY . 19.6 mt -33.07 -46.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 25' ' ' TYR . 33.3 m -75.3 -44.88 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.483 ' N ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -39.32 -48.43 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -67.84 -59.28 3.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 149.68 42.71 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.54 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.0 mmt-85 -120.73 142.83 49.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mp -88.46 153.84 20.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.516 HG13 ' CE2' ' A' ' 25' ' ' TYR . 49.6 mm -96.01 115.41 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.1 m -109.19 173.53 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.9 p -147.52 158.68 44.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.6 p -114.45 160.31 19.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -72.71 -33.82 66.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.3 p -50.68 -31.74 17.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.77 34.39 1.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.431 ' CE1' ' HB ' ' A' ' 61' ' ' THR . 21.9 m170 -130.4 165.82 21.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.1 t -118.79 144.62 26.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.448 ' CG ' HD13 ' A' ' 49' ' ' LEU . 90.2 m-85 -152.77 168.88 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.1 m -90.28 172.46 8.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.5 p -64.0 -47.98 78.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -78.43 -58.41 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 75.4 m -39.28 -72.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.476 ' O ' HD23 ' A' ' 53' ' ' LEU . 15.0 tp -43.83 -60.59 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -46.06 -33.31 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -68.1 -44.89 75.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.55 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 67.7 m -65.64 -24.17 66.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 49' ' ' LEU . 3.6 mm? -79.12 -47.04 16.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -80.84 -10.02 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -113.33 -61.82 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 52' ' ' SER . . . -81.3 179.47 7.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -99.94 -50.32 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' CYS . 18.1 p -128.1 170.23 13.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' THR . 26.7 t -37.7 131.27 0.88 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.721 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.519 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.8 Cg_endo -69.77 5.74 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.346 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.431 ' HB ' ' CE1' ' A' ' 42' ' ' HIS . 3.4 m -117.83 -67.52 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.0 p -86.97 -19.86 28.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 44.8 mmm-85 54.58 50.34 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' O ' HG23 ' A' ' 66' ' ' ILE . 72.9 tttt -116.76 160.49 20.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.411 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 9.0 mmtm -50.33 114.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 64' ' ' LYS . 29.7 pt -132.5 134.74 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -85.84 138.86 31.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -83.61 99.45 10.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -158.43 165.56 34.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.829 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 p -88.35 -47.68 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.79 -141.07 40.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.6 m -58.25 169.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -117.52 -71.67 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.97 56.41 3.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.449 ' O ' HG22 ' A' ' 8' ' ' THR . 16.1 m 50.57 50.61 18.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 0.0 111.117 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.25 84.02 0.3 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.8 mt -77.13 111.19 12.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -107.09 104.04 50.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.622 0.725 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 114.93 3.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 t -75.55 91.81 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.78 152.92 15.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.534 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.4 p -105.92 85.82 2.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 111.178 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.559 ' O ' HG23 ' A' ' 16' ' ' VAL . 34.2 m -113.86 116.19 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.5 p -126.65 109.7 12.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.5 t -99.73 123.46 47.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -25.92 27.98 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.359 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.8 mm -63.24 -65.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.9 p -83.82 -21.73 32.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.0 mtt 53.85 46.09 26.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -127.76 -177.31 4.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.27 -174.68 37.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.593 ' CZ ' HG11 ' A' ' 29' ' ' VAL . 88.1 t80 -66.81 -54.1 26.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.897 0.38 . . . . 0.0 110.894 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.437 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 26.3 t -50.17 -39.52 43.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.1 tm-20 -65.73 -42.33 91.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.3 mt -67.54 -48.04 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.593 HG11 ' CZ ' ' A' ' 25' ' ' TYR . 25.0 m -66.7 -44.19 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.455 ' N ' HG23 ' A' ' 29' ' ' VAL . 15.0 mm-40 -34.16 -59.74 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 27' ' ' GLU . 1.4 p30 -61.72 -41.01 97.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' VAL . . . 117.45 54.85 0.3 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.45 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -119.03 174.86 6.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mt -111.91 156.4 22.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.526 HG21 HG11 ' A' ' 16' ' ' VAL . 30.7 mm -100.3 113.69 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.165 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.8 m -110.42 156.08 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.6 m -128.74 133.82 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 p -86.86 143.18 27.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -64.48 -24.79 67.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.3 p -61.06 -24.58 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.07 41.42 1.08 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -142.58 165.14 28.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.0 t -116.61 140.06 40.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.522 ' CG ' HD13 ' A' ' 49' ' ' LEU . 97.6 m-85 -147.85 174.55 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.5 m -102.15 160.61 14.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.4 p -55.32 -47.85 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -74.01 -54.3 8.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 84.0 m -46.16 -67.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.522 HD13 ' CG ' ' A' ' 44' ' ' PHE . 12.7 tp -49.35 -58.18 5.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -42.78 -43.79 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -73.76 -37.83 64.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.5 t -59.49 -53.01 63.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 mp -43.86 -43.81 6.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.981 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -63.84 -53.32 52.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -67.22 -65.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.36 98.0 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -38.18 -46.46 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.2 p -90.19 172.61 8.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.6 t -54.2 134.37 60.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.459 ' HG2' ' CE1' ' A' ' 44' ' ' PHE . 54.2 Cg_endo -69.72 4.72 2.01 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.6 m -118.05 -71.34 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.7 p -88.05 -23.03 23.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 64.09 38.07 8.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -96.54 154.08 17.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -50.83 106.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.4 pt -128.02 158.3 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -158.22 105.49 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -100.83 107.72 19.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.9 tttp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 m -108.72 135.09 50.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.6 m -66.4 122.98 18.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.06 46.15 0.43 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 p -139.95 146.03 38.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.824 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.4 p -146.34 149.93 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.47 166.76 52.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.8 t -73.67 153.91 39.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.185 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.46 77.17 0.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.451 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.4 mt -49.47 151.96 1.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -151.84 133.52 8.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.581 0.705 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 115.14 3.95 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -76.13 55.57 0.95 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.75 97.26 1.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 t -61.8 142.92 57.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 111.108 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 15.5 m -109.0 166.4 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -169.26 106.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.0 t -92.51 118.93 68.23 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -16.27 37.48 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.703 2.268 . . . . 0.0 112.359 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.6 mm -75.2 -65.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.131 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 22' ' ' MET . 29.3 p -92.22 -30.72 15.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 26.4 ptm 45.08 41.44 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.42 -68.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 148.64 129.85 1.86 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.77 ' O ' HG13 ' A' ' 29' ' ' VAL . 92.0 t80 -34.67 -43.09 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.733 ' O ' HG22 ' A' ' 29' ' ' VAL . 74.3 m -52.68 -57.35 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.849 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.26 -46.5 86.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.817 HG23 ' HG3' ' A' ' 33' ' ' ARG . 65.1 mt -54.97 -40.8 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.172 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 25' ' ' TYR . 16.0 m -76.64 -22.42 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 13.1 tm0? -71.61 68.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 31' ' ' ASN . 1.8 p-10 48.85 43.4 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.69 -73.09 0.56 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.817 ' HG3' HG23 ' A' ' 28' ' ' ILE . 9.5 ptt-85 -154.05 164.41 38.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.366 . . . . 0.0 110.85 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -91.04 158.62 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 35' ' ' ILE . 1.1 mp -88.1 109.12 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 44' ' ' PHE . 7.7 m -107.98 158.9 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 90.8 p -134.69 153.31 52.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.7 p -110.84 177.25 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -81.05 -34.9 32.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.8 p -51.03 -34.22 28.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.35 27.73 3.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.582 ' CE1' ' CG2' ' A' ' 61' ' ' THR . 13.1 m170 -115.45 177.05 4.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.839 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.6 t -124.71 139.78 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.507 ' CG ' HD13 ' A' ' 49' ' ' LEU . 58.4 m-85 -152.94 168.73 24.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.4 m -100.2 157.5 16.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 99.7 p -49.79 -48.7 50.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -69.52 -66.97 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 56.5 m -38.49 -70.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.507 HD13 ' CG ' ' A' ' 44' ' ' PHE . 14.9 tp -43.65 -62.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -45.93 -37.03 5.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.76 -32.97 66.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -71.18 -48.62 50.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.6 mp -45.3 -41.45 8.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 8.4 ptmm? -85.65 -42.31 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.464 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 3.1 t30 -64.74 -65.83 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.0 173.61 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -97.58 -33.89 11.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.427 ' HB ' ' C ' ' A' ' 63' ' ' ARG . 11.8 p -131.2 -176.03 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.448 ' HB3' ' N ' ' A' ' 63' ' ' ARG . 1.9 t -53.3 128.36 49.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.716 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 4.86 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.582 ' CG2' ' CE1' ' A' ' 42' ' ' HIS . 24.6 m -125.68 -50.43 1.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' LYS . 32.0 p -118.4 11.29 12.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.496 ' CD ' ' O ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER 31.7 37.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.858 ' O ' HG23 ' A' ' 66' ' ' ILE . 24.7 tttm -97.59 130.8 44.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.2 mmpt? -33.75 105.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.858 HG23 ' O ' ' A' ' 64' ' ' LYS . 38.8 pt -112.68 -40.59 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.483 ' N ' HG13 ' A' ' 66' ' ' ILE . 17.7 t-20 -80.44 -54.14 5.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 65.65 41.7 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 p -149.1 118.77 7.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.906 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.7 p -173.01 155.89 3.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.37 -131.3 49.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 t -172.46 111.7 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.368 . . . . 0.0 110.857 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -58.56 107.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.77 -151.33 8.04 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.5 p -154.09 166.37 33.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 111.157 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.84 83.7 0.76 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -85.44 156.32 20.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.21 140.54 1.08 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.6 0.714 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -42.08 3.74 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 t 64.85 36.35 7.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.42 76.71 0.26 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.8 t -111.08 135.97 50.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.158 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.1 m -85.58 169.65 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.6 m -158.26 124.85 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.4 t -104.04 118.14 57.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.732 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 -17.97 36.96 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.335 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.5 mm -66.86 -71.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.9 p -82.49 -31.54 29.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.1 mtm 61.11 49.68 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 23' ' ' ASP . 0.6 OUTLIER -100.57 -68.4 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.76 142.98 5.1 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.777 ' O ' HG22 ' A' ' 29' ' ' VAL . 34.1 t80 -40.58 -59.53 1.34 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.885 0.374 . . . . 0.0 110.933 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -46.69 -31.53 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 30' ' ' GLN . 12.1 tt0 -86.0 -63.35 1.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.405 HD11 ' OD1' ' A' ' 23' ' ' ASP . 14.0 mt -44.86 -41.21 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.777 HG22 ' O ' ' A' ' 25' ' ' TYR . 15.4 m -76.47 -23.41 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 27' ' ' GLU . 32.3 tt0 -78.71 70.41 5.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 m120 58.25 41.91 22.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -115.08 -86.82 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.9 mtm-85 -144.29 -175.32 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.332 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tp -101.83 141.59 34.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 35' ' ' ILE . 1.4 mp -77.89 108.7 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 44' ' ' PHE . 16.9 m -105.88 162.78 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.2 p -131.07 157.66 42.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.5 p -121.27 149.2 43.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' CYS . 4.2 pt-20 -52.22 -54.55 29.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' GLU . 21.1 p -35.03 -43.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.46 25.44 1.61 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -114.0 170.9 7.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.492 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 56.7 t -120.07 149.19 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.492 ' CG ' ' O ' ' A' ' 43' ' ' VAL . 56.7 m-85 -159.96 178.11 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.4 m -103.78 157.04 17.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -47.34 -63.35 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -60.2 -58.35 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 84.6 m -42.97 -64.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' SER . 15.5 tp -56.49 -57.64 11.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -45.29 -35.61 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -81.57 -25.61 35.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' LEU . 6.3 t -75.77 -40.04 55.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.436 ' CD1' ' HG ' ' A' ' 49' ' ' LEU . 7.2 mp -51.86 -52.85 46.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -73.69 -51.34 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -52.76 -62.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.13 163.18 13.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -80.33 -40.22 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.424 ' HB ' ' C ' ' A' ' 63' ' ' ARG . 7.8 p -134.54 176.51 8.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.173 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' THR . 10.6 t -37.64 133.61 0.81 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 8.35 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.73 2.286 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.4 m -124.44 -75.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.2 p -84.89 -14.93 46.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.424 ' C ' ' HB ' ' A' ' 58' ' ' THR . 26.0 mtm-85 58.33 52.37 7.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.662 ' O ' HG23 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -95.31 152.09 18.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -50.14 94.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 64' ' ' LYS . 32.4 pt -125.26 145.53 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -163.49 -178.61 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.433 ' CG ' ' N ' ' A' ' 69' ' ' LYS . 54.4 t60 -161.09 160.0 29.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.433 ' N ' ' CG ' ' A' ' 68' ' ' HIS . 18.3 tptm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.1 m -144.36 157.22 44.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 t -128.83 165.58 20.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.06 159.33 13.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -73.16 153.81 40.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.383 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 t -68.11 148.65 50.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.2 -178.69 0.38 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 9' ' ' GLY . 7.5 m -121.49 159.6 25.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 111.126 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' N ' HG22 ' A' ' 8' ' ' THR . . . -97.13 -55.35 1.2 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.9 mt -81.34 139.76 35.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 110.918 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -47.53 145.09 4.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.597 0.713 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 106.28 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.3 t -92.47 140.39 29.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.815 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.56 96.09 1.84 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 m -83.2 49.6 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 111.147 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.3 m -114.46 163.75 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 t -159.25 129.7 5.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 22' ' ' MET . 43.2 t -95.6 121.24 62.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.673 0.749 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -14.85 36.79 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.413 HG21 ' HB3' ' A' ' 48' ' ' CYS . 28.6 mm -77.15 -56.7 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.8 p -95.15 -25.2 16.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' CYS . 67.9 mtt 62.87 49.49 3.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.2 161.6 29.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.0 -166.67 1.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.645 ' O ' HG22 ' A' ' 29' ' ' VAL . 1.8 t80 -90.81 -41.89 10.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -56.96 -43.23 81.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.73 -52.93 62.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.7 mt -49.78 -62.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 25' ' ' TYR . 13.3 m -57.33 -33.09 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -62.48 -57.92 9.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -50.17 -45.72 53.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 129.85 44.26 0.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -125.66 154.3 42.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 35' ' ' ILE . 0.4 OUTLIER -97.2 139.9 32.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.694 ' N ' HD13 ' A' ' 34' ' ' LEU . 35.8 mm -79.13 106.8 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.3 m -106.45 170.62 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.6 t -151.8 153.29 33.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.9 p -107.13 167.73 9.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 40' ' ' CYS . 13.8 pt-20 -69.52 -51.16 38.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' GLU . 14.3 p -36.81 -40.66 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.73 42.55 0.45 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.592 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 8.6 m80 -133.71 138.81 46.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.361 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.4 t -92.66 136.9 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 42' ' ' HIS . 92.1 m-85 -143.03 168.09 20.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 39.2 m -94.55 163.96 13.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.7 p -51.96 -57.28 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 48' ' ' CYS . 5.6 tt0 -69.87 -62.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 47' ' ' GLN . 74.6 m -34.48 -68.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.479 HD13 ' CG ' ' A' ' 44' ' ' PHE . 18.6 tp -50.28 -63.24 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.9 mtt-85 -38.94 -44.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.91 -44.92 94.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 42.1 t -62.35 -34.11 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 53' ' ' LEU . 1.3 mm? -69.23 -43.15 74.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -65.7 -59.41 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -73.78 -63.61 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 52' ' ' SER . . . -82.64 -177.25 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -124.14 -60.69 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' CYS . 64.2 p -87.23 159.05 18.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.179 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 58' ' ' THR . 16.7 t -35.59 130.29 0.56 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.718 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.422 ' HG2' ' CE1' ' A' ' 44' ' ' PHE . 53.0 Cg_endo -69.79 6.32 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.631 2.221 . . . . 0.0 112.34 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.3 m -120.25 -60.6 1.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.9 p -95.38 -21.2 18.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.411 ' C ' ' HB ' ' A' ' 58' ' ' THR . 8.7 mtp180 59.79 40.9 18.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.601 ' O ' HG23 ' A' ' 66' ' ' ILE . 1.4 tmtp? -98.25 148.24 23.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.467 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 18.3 tptt -47.06 99.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.601 HG23 ' O ' ' A' ' 64' ' ' LYS . 26.5 pt -112.3 -29.81 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -69.28 144.45 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.423 ' CE1' ' HB2' ' A' ' 69' ' ' LYS . 2.9 p80 -103.54 -38.09 7.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.434 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -144.5 167.69 21.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 t -152.67 156.19 38.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.85 -160.24 29.22 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.5 m -106.65 159.39 16.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 t -149.1 130.27 14.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.51 76.54 1.31 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.4 p -153.79 173.79 15.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 111.116 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.31 -69.5 1.54 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 10' ' ' LEU . 4.5 pp -52.7 140.67 22.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.943 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -137.04 148.23 61.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.722 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 152.28 68.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.308 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 t -116.01 45.88 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.802 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.84 61.08 0.46 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.2 p -77.55 114.26 16.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 111.122 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.409 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 12.6 m -103.67 147.7 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.8 m -146.23 113.2 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.7 t -95.51 119.37 65.37 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.671 0.748 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -20.02 35.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.254 . . . . 0.0 112.364 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -68.43 -62.94 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.4 p -88.96 -19.91 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.9 mtm 57.48 43.98 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -113.88 -179.63 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.82 -175.45 33.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.475 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.666 ' O ' HG13 ' A' ' 29' ' ' VAL . 35.7 t80 -77.66 -42.58 34.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.913 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -64.89 -29.12 70.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.817 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -75.52 -56.45 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 33' ' ' ARG . 38.1 mt -52.78 -43.21 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.666 HG13 ' O ' ' A' ' 25' ' ' TYR . 5.9 m -74.05 -27.9 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -68.27 70.42 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 m120 51.26 48.85 22.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -123.02 -83.83 0.65 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HD2' ' CB ' ' A' ' 47' ' ' GLN . 12.7 mmp_? -138.95 168.98 18.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.823 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp -94.35 133.34 38.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.8 mm -69.57 117.46 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 m -117.2 153.38 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.0 p -121.24 150.58 41.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.4 p -113.94 159.58 19.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -74.35 -45.15 48.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.413 ' HB3' ' CG2' ' A' ' 66' ' ' ILE . 24.5 p -39.28 -38.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.8 42.33 0.45 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.477 ' CE1' ' HB ' ' A' ' 61' ' ' THR . 23.2 m170 -139.7 -175.14 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.8 t -135.74 143.34 36.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.437 ' CE1' ' HG2' ' A' ' 60' ' ' PRO . 89.6 m-85 -153.84 -179.25 7.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 5.0 m -106.2 153.23 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.4 t -38.48 -71.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.459 ' CB ' ' HD2' ' A' ' 33' ' ' ARG . 5.5 tp-100 -56.6 -66.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 47' ' ' GLN . 82.3 m -33.08 -63.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 53' ' ' LEU . 14.1 tp -52.45 -59.18 4.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -44.79 -40.75 6.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.7 -42.47 97.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.404 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 47.1 t -70.38 -28.8 65.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 49' ' ' LEU . 3.7 mm? -77.89 -40.9 38.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 7.4 ptmt -71.89 -41.52 67.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -71.94 -38.05 69.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.458 ' N ' ' OD1' ' A' ' 55' ' ' ASN . . . -148.38 170.41 18.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.525 ' O ' HG23 ' A' ' 58' ' ' THR . 43.2 t30 -110.96 52.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 57' ' ' ASN . 24.0 p -159.25 167.42 29.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.0 t -84.23 135.05 42.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.437 ' HG2' ' CE1' ' A' ' 44' ' ' PHE . 53.6 Cg_endo -69.75 7.59 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.477 ' HB ' ' CE1' ' A' ' 42' ' ' HIS . 11.2 m -122.5 -71.52 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.2 p -79.03 -20.72 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 60.35 42.22 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -95.05 168.81 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.61 55.41 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.413 ' CG2' ' HB3' ' A' ' 40' ' ' CYS . 18.4 pt -65.31 132.82 31.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -170.64 112.87 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -69.6 89.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 69' ' ' LYS . 12.5 tmtt? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -63.63 97.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.91 0.386 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 t 63.91 42.28 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.82 150.85 38.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.1 p -132.66 93.31 3.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -135.41 174.58 10.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.99 -150.34 11.95 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 t -134.29 156.78 47.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 111.155 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.74 145.0 6.86 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.0 tp -129.61 125.45 36.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -150.2 133.22 8.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.672 0.749 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 142.07 47.12 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 p -173.65 179.78 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.526 ' O ' ' C ' ' A' ' 15' ' ' THR . . . -45.06 -24.72 0.86 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.747 ' O ' HG23 ' A' ' 15' ' ' THR . 7.1 t 26.53 52.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 111.134 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.586 HG22 ' HB2' ' A' ' 25' ' ' TYR . 26.0 m -93.96 165.7 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.52 125.56 4.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 22' ' ' MET . 47.2 t -100.58 120.52 55.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -8.6 24.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.5 mm -85.63 -54.11 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.147 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.455 ' SG ' ' CG ' ' A' ' 23' ' ' ASP . 7.7 p -99.72 -25.96 14.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' CYS . 52.6 mmm 67.06 55.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.565 ' OD1' HD11 ' A' ' 28' ' ' ILE . 26.2 p30 -128.16 161.9 28.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' O ' HD12 ' A' ' 28' ' ' ILE . . . -68.98 -128.3 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.753 ' O ' HG22 ' A' ' 29' ' ' VAL . 34.2 t80 -117.41 -43.75 2.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.924 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.3 t -61.5 -49.49 76.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -50.58 -55.97 13.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.565 HD11 ' OD1' ' A' ' 23' ' ' ASP . 62.9 mt -51.86 -53.49 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 25' ' ' TYR . 29.4 m -79.73 10.63 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.164 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -80.82 55.81 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.2 t30 57.55 44.27 21.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.31 -57.02 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -145.76 165.9 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 tp -102.97 160.97 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.2 mm -89.7 112.78 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 44' ' ' PHE . 21.1 m -114.35 170.52 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.9 p -133.04 177.27 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.2 p -137.64 155.59 48.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 40' ' ' CYS . 19.9 tt0 -58.28 -53.2 61.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' GLU . 14.8 p -36.65 -42.56 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.19 29.65 1.44 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -118.02 174.87 5.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.794 0.33 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.3 t -118.49 142.4 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.468 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 96.8 m-85 -153.76 165.09 37.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.9 m -92.37 162.02 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 t -49.39 -65.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 48' ' ' CYS . 5.3 tp60 -61.75 -64.83 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 47' ' ' GLN . 69.5 m -33.81 -65.48 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.4 tp -50.15 -63.25 1.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -43.2 -36.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -67.57 -42.85 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 3.7 t -66.19 -24.57 66.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 53' ' ' LEU . 1.1 mm? -78.44 -47.08 18.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -22.31 60.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -101.91 -68.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 52' ' ' SER . . . -76.49 169.77 17.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.069 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -96.59 -41.48 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 p -128.21 173.6 9.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.48 ' N ' HD11 ' A' ' 66' ' ' ILE . 37.0 t -42.33 132.99 2.69 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 3.4 2.8 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.8 m -114.72 -68.73 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.3 p -84.24 -31.74 24.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 70.67 43.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 65' ' ' LYS . 21.5 tttm -102.65 154.02 19.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.422 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 3.3 mmmm -50.5 108.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.48 HD11 ' N ' ' A' ' 59' ' ' CYS . 9.0 pt -134.23 122.27 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -175.18 151.6 1.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -130.17 32.29 4.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -94.76 115.82 27.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -149.98 148.4 29.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.06 66.67 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 m -151.46 151.38 31.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -100.36 177.41 5.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.82 92.62 1.61 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.8 m -103.6 95.31 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 111.159 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.95 -64.77 4.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.2 mt -63.22 102.2 0.37 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.747 0.308 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.3 mmt-85 -87.46 124.25 68.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 104.58 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.677 2.252 . . . . 0.0 112.347 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 56.2 p -98.33 145.21 26.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.02 47.87 0.23 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.6 p -145.22 138.09 26.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 111.167 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.6 m -77.61 147.23 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.4 p -142.36 113.68 7.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.7 t -101.9 122.75 46.18 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -23.43 30.76 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.7 mm -66.18 -64.99 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.8 p -83.64 -24.72 31.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 23.3 mtt 56.23 43.61 26.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -127.4 171.02 11.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.25 -168.32 18.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.697 ' CZ ' HG11 ' A' ' 29' ' ' VAL . 30.0 t80 -84.11 -49.54 8.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.921 0.391 . . . . 0.0 110.967 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -48.45 -45.36 36.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.5 -56.4 22.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.9 mt -49.15 -50.79 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.697 HG11 ' CZ ' ' A' ' 25' ' ' TYR . 24.2 m -70.1 -25.03 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -68.13 -61.89 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -48.8 -42.25 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.16 44.53 0.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 47' ' ' GLN . 11.5 mmt180 -122.07 171.73 8.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.926 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.9 mt -120.06 152.47 37.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.1 mm -91.56 122.3 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.1 m -120.25 167.51 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.7 p -138.15 147.84 44.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.4 p -103.98 172.8 6.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 40' ' ' CYS . 5.9 mm-40 -74.33 -54.66 7.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' GLU . 15.6 p -35.11 -42.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.77 39.38 0.53 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.507 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 10.1 m80 -127.4 155.9 42.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.2 t -107.58 138.13 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.625 ' CG ' HD13 ' A' ' 49' ' ' LEU . 90.7 m-85 -148.29 176.16 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 55.1 m -99.8 171.93 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.7 t -64.6 -52.4 57.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 33' ' ' ARG . 8.4 tt0 -71.97 -51.61 21.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.4 m -46.28 -68.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.625 HD13 ' CG ' ' A' ' 44' ' ' PHE . 12.1 tp -54.66 -48.05 72.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -49.34 -40.75 36.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -75.31 -34.78 61.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 m -65.06 -42.65 94.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 49' ' ' LEU . 9.6 mp -48.92 -52.41 24.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -73.86 -46.19 46.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.461 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 53.5 t30 -54.45 -69.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.34 -176.85 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -100.84 -44.06 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 59' ' ' CYS . 14.7 p -121.9 171.7 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' THR . 5.9 t -34.54 130.99 0.44 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 7.5 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.7 m -121.13 -66.38 1.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.3 p -90.88 -19.19 23.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 59.44 51.24 6.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.62 ' O ' HG23 ' A' ' 66' ' ' ILE . 14.5 ttmm -112.07 147.89 35.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -42.47 110.56 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.62 HG23 ' O ' ' A' ' 64' ' ' LYS . 22.0 pt -130.8 134.73 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -130.37 123.49 30.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -45.42 -58.77 3.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -68.3 -55.55 11.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.907 0.384 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t 53.26 42.21 32.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.01 -81.67 0.48 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t 45.63 42.3 8.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.927 0.394 . . . . 0.0 110.841 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -70.83 121.04 17.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.86 172.7 17.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 9' ' ' GLY . 24.7 m -108.11 113.59 26.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 8' ' ' THR . . . -36.32 148.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.7 mt -45.84 167.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -118.8 144.0 34.75 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 131.01 20.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.9 p -70.9 171.44 10.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.12 83.18 1.17 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.5 t -142.54 150.41 40.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.783 0.325 . . . . 0.0 111.142 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.39 158.54 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.102 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.2 t -158.95 129.44 5.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.6 t -74.72 118.72 72.42 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.732 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -13.37 34.48 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.309 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.475 HG21 ' HB3' ' A' ' 48' ' ' CYS . 12.2 mm -77.36 -67.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 p -83.9 -26.97 28.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 62.7 mtm 59.31 53.68 5.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.18 -64.59 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.52 146.65 5.23 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.593 ' HA ' HD12 ' A' ' 28' ' ' ILE . 1.2 t80 -42.95 -54.01 4.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.914 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -60.24 -46.46 89.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -63.02 -23.58 67.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.765 HG23 ' HB2' ' A' ' 33' ' ' ARG . 17.5 mt -80.67 -67.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.493 HG11 ' HE1' ' A' ' 25' ' ' TYR . 27.8 m -45.51 -30.85 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -76.19 -58.48 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -45.81 -75.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.78 39.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.765 ' HB2' HG23 ' A' ' 28' ' ' ILE . 18.5 mmt85 -131.48 148.56 52.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tp -91.5 157.82 16.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.447 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 40.0 mm -97.46 118.64 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 45' ' ' CYS . 7.0 m -121.46 166.52 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.8 p -136.22 160.14 39.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.2 p -115.63 176.26 5.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.778 ' OE2' HG22 ' A' ' 66' ' ' ILE . 2.8 pp20? -81.75 -48.31 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' GLU . 18.3 p -36.39 -41.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.04 33.53 0.68 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -130.07 172.69 11.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.1 t -126.18 142.93 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.503 ' CD1' HD13 ' A' ' 49' ' ' LEU . 38.8 m-85 -149.52 169.46 20.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.474 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 29.8 m -86.01 -176.87 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -69.36 -61.46 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 48' ' ' CYS . 19.2 mm-40 -67.96 -56.98 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.475 ' HB3' HG21 ' A' ' 20' ' ' ILE . 59.7 m -37.12 -65.84 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.503 HD13 ' CD1' ' A' ' 44' ' ' PHE . 17.1 tp -51.87 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -40.11 -31.75 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -75.59 -39.61 57.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' LEU . 66.8 m -67.73 -22.93 65.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 53' ' ' LEU . 1.8 mm? -70.44 -46.02 64.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -83.45 -33.95 25.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -72.26 -55.59 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.05 167.09 10.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -91.26 -47.86 7.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' CYS . 39.5 p -109.58 167.73 9.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' THR . 46.0 t -37.51 134.9 0.75 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 4.68 2.05 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.229 . . . . 0.0 112.391 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.6 m -120.78 -72.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.2 p -80.21 -24.82 39.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' C ' ' HB ' ' A' ' 58' ' ' THR . 22.2 mtt85 62.66 42.75 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.52 ' O ' HG23 ' A' ' 66' ' ' ILE . 37.1 ttmt -103.95 145.87 29.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.35 105.3 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.778 HG22 ' OE2' ' A' ' 39' ' ' GLU . 9.1 pt -122.21 -21.38 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -70.29 141.32 52.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -146.75 150.54 35.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 t -116.5 144.09 44.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 p -113.09 42.43 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.67 139.28 10.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -124.7 112.71 17.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 m -103.85 122.05 44.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.87 -118.37 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.9 p -70.18 165.85 21.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.349 . . . . 0.0 111.156 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.46 130.71 10.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.04 117.13 29.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -95.86 156.15 37.58 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.565 0.698 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 165.19 31.83 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.353 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.4 p -59.42 141.89 53.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.18 -40.16 0.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' VAL . 74.9 p -57.7 164.58 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 111.146 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.896 ' HB ' HG11 ' A' ' 43' ' ' VAL . 28.6 m -35.77 146.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.6 m -146.1 105.66 3.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 22' ' ' MET . 35.2 t -94.08 115.65 65.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.73 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -15.25 37.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.728 2.286 . . . . 0.0 112.345 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.7 mm -74.72 -60.66 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' SG ' ' CG ' ' A' ' 23' ' ' ASP . 29.4 p -102.56 -26.87 13.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' CYS . 19.0 ptt? 44.35 39.57 3.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 23' ' ' ASP . 1.1 p30 -71.3 -66.13 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 146.73 129.66 2.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.715 ' HB2' HG22 ' A' ' 16' ' ' VAL . 19.3 t80 -32.17 -53.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.918 0.39 . . . . 0.0 110.944 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.587 ' O ' HG22 ' A' ' 29' ' ' VAL . 34.2 p -60.36 -55.59 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -48.07 -62.69 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.669 HG23 ' HB2' ' A' ' 33' ' ' ARG . 19.7 mt -43.92 -63.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 26' ' ' SER . 14.6 m -55.87 -28.35 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 35.5 tt0 -72.78 68.83 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 1.0 OUTLIER 48.78 40.96 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 33' ' ' ARG . . . -115.02 -59.05 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.669 ' HB2' HG23 ' A' ' 28' ' ' ILE . 76.5 mtt85 -162.06 177.5 9.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.632 HD23 ' N ' ' A' ' 35' ' ' ILE . 4.8 tt -96.76 148.4 22.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.632 ' N ' HD23 ' A' ' 34' ' ' LEU . 48.7 mm -93.48 116.74 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.06 162.67 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 p -131.57 143.61 50.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.5 p -112.36 168.83 9.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 40' ' ' CYS . 14.9 pt-20 -77.16 -49.24 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 39' ' ' GLU . 31.8 p -38.06 -41.6 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.54 38.98 0.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -134.09 160.03 39.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.846 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.896 HG11 ' HB ' ' A' ' 16' ' ' VAL . 98.0 t -113.11 143.07 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -149.16 -174.96 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.1 m -116.16 148.49 40.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -38.12 -53.82 1.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -65.97 -59.63 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.5 m -43.63 -68.29 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.5 tp -49.5 -54.86 15.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -47.48 -41.49 20.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.04 -38.73 72.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -67.87 -36.41 80.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tp -50.35 -48.06 55.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -78.95 -44.37 22.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -60.82 -66.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.69 111.8 23.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -43.58 -44.82 6.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.483 HG22 ' HA ' ' A' ' 65' ' ' LYS . 14.8 p -96.88 177.0 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.7 t -55.22 134.55 68.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.708 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 2.98 3.02 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.9 m -115.68 -69.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.165 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.5 p -81.93 -29.26 32.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.3 mtm-85 67.83 45.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.962 ' O ' HG23 ' A' ' 66' ' ' ILE . 37.1 ttmt -115.88 138.19 51.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.483 ' HA ' HG22 ' A' ' 58' ' ' THR . 10.8 ttmt -36.84 105.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.962 HG23 ' O ' ' A' ' 64' ' ' LYS . 21.2 pt -126.0 -30.84 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.454 ' N ' HG13 ' A' ' 66' ' ' ILE . 64.0 t30 -91.14 125.39 35.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -89.08 101.97 14.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 t -110.14 121.7 45.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.791 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 t -119.89 143.09 48.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.52 -94.3 0.48 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 m -139.74 128.36 23.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.858 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 m -119.64 149.66 41.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.22 174.75 21.56 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.5 133.48 20.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.331 . . . . 0.0 111.185 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' LEU . . . 172.64 -77.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' GLY . 80.4 mt -34.28 146.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -81.1 131.82 58.35 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.628 0.728 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 13' ' ' SER . 53.5 Cg_endo -69.76 123.26 9.93 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.673 2.248 . . . . 0.0 112.331 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 12' ' ' PRO . 3.4 t -34.74 141.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.86 130.02 33.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 m -127.18 141.71 51.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 111.15 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.724 HG22 ' HB2' ' A' ' 25' ' ' TYR . 35.1 m -57.76 146.49 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.9 p -139.35 109.99 6.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.7 t -95.8 120.69 62.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -21.05 34.02 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.433 HG21 ' HB3' ' A' ' 48' ' ' CYS . 25.3 mm -66.11 -65.31 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 p -86.44 -25.58 25.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.7 mmm 61.78 44.24 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -120.53 173.96 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.98 -177.74 50.02 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.724 ' HB2' HG22 ' A' ' 16' ' ' VAL . 15.0 t80 -69.77 -66.62 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.929 0.395 . . . . 0.0 110.934 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.2 p -40.18 -60.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -41.34 -44.5 2.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.28 -43.64 91.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.539 HG21 ' CZ ' ' A' ' 25' ' ' TYR . 15.9 m -95.03 27.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -94.52 38.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 72.95 42.9 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.04 -40.07 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.518 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.5 mtt-85 -150.87 169.43 21.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 110.884 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 35' ' ' ILE . 3.2 tt -112.89 158.05 20.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.797 ' N ' HD23 ' A' ' 34' ' ' LEU . 25.7 mm -90.31 116.6 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.5 m -116.78 152.56 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 m -124.64 156.39 37.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.8 p -122.98 175.12 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' CYS . 15.3 pt-20 -83.38 -53.47 5.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' GLU . 22.0 p -34.59 -40.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.87 44.63 0.45 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -141.41 144.57 34.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.8 t -101.47 136.37 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CD2' HD13 ' A' ' 49' ' ' LEU . 53.0 m-85 -140.68 176.9 8.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.7 m -100.96 175.56 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -61.37 -61.49 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -65.51 -56.47 12.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.433 ' HB3' HG21 ' A' ' 20' ' ' ILE . 61.0 m -40.98 -65.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.551 HD13 ' CD2' ' A' ' 44' ' ' PHE . 15.4 tp -55.97 -56.75 16.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -50.1 -26.6 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -83.91 -34.81 24.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 56' ' ' ALA . 11.5 m -70.59 -30.3 66.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.2 mp -70.33 -56.4 6.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -35.16 77.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -84.53 -66.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 52' ' ' SER . . . -90.13 146.49 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.89 -46.38 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.423 ' HB ' ' C ' ' A' ' 63' ' ' ARG . 68.5 p -103.93 170.41 7.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.5 t -51.96 134.76 38.53 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.659 0.743 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 5.9 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.35 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.4 m -122.01 -71.04 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.8 p -84.84 -23.29 29.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.423 ' C ' ' HB ' ' A' ' 58' ' ' THR . 12.6 mmt180 65.25 54.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -103.49 175.95 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' N ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -81.36 38.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.48 HG13 ' N ' ' A' ' 67' ' ' ASN . 35.1 pt -47.25 -35.75 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.48 ' N ' HG13 ' A' ' 66' ' ' ILE . 61.4 t30 -107.31 150.88 26.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -72.13 -49.89 32.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.3 tptt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 p -79.86 113.44 18.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 110.841 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -52.19 146.51 8.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.55 90.83 0.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.517 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -127.04 90.88 3.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.892 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -172.9 128.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.92 -179.29 52.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.6 m -135.77 142.7 44.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.102 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.2 105.47 0.2 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.8 mt -95.53 136.23 36.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.61 113.26 40.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.572 0.701 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -173.07 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.8 p -96.27 -58.45 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.76 105.82 2.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.1 m -117.51 103.7 10.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.803 0.335 . . . . 0.0 111.139 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.545 HG22 ' HB2' ' A' ' 25' ' ' TYR . 17.9 m -83.92 138.18 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.4 m -126.9 105.18 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.7 t -100.14 118.9 60.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -12.13 32.3 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.639 2.226 . . . . 0.0 112.373 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mm -78.26 -56.44 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.419 ' C ' ' HG2' ' A' ' 22' ' ' MET . 26.9 p -101.5 0.92 37.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.419 ' HG2' ' C ' ' A' ' 21' ' ' CYS . 6.0 ptt? 36.52 44.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -118.88 170.75 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.413 ' O ' HD12 ' A' ' 28' ' ' ILE . . . -86.57 -164.76 40.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.757 ' CZ ' HG11 ' A' ' 29' ' ' VAL . 47.9 t80 -79.09 -44.4 22.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 110.952 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.457 ' HA ' HG22 ' A' ' 29' ' ' VAL . 75.1 p -62.52 -35.23 78.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -69.96 -31.06 68.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 24' ' ' GLY . 43.6 mt -79.91 -49.03 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.757 HG11 ' CZ ' ' A' ' 25' ' ' TYR . 18.2 m -68.01 -29.6 45.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -69.97 -67.32 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.488 ' OD1' ' CZ ' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -42.56 -34.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.65 62.25 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.488 ' CZ ' ' OD1' ' A' ' 31' ' ' ASN . 79.0 mtm-85 -143.98 161.18 39.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.71 162.99 12.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.8 mm -102.68 113.55 39.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -115.83 165.82 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 p -141.48 170.71 15.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.5 p -127.55 158.72 36.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -73.43 -13.79 61.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.6 p -71.97 -24.02 61.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.21 28.13 5.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.461 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . 22.6 m170 -127.17 144.93 50.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.2 t -103.01 142.22 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' A' ' 42' ' ' HIS . 47.9 m-85 -147.92 -179.54 6.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 60.9 m -99.89 174.66 6.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.8 p -65.32 -46.87 78.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 48' ' ' CYS . 0.9 OUTLIER -81.29 -57.92 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' GLN . 73.8 m -34.15 -64.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.7 tp -55.74 -42.62 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.422 HH21 HD22 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -55.07 -50.81 68.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.07 -25.75 67.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 m -84.81 -21.89 29.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.422 HD22 HH21 ' A' ' 50' ' ' ARG . 6.3 tp -70.67 -45.96 64.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -73.71 -44.36 56.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -58.7 -67.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.36 178.91 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.413 ' OD1' HG23 ' A' ' 58' ' ' THR . 2.5 t-20 -105.83 -41.58 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.413 HG23 ' OD1' ' A' ' 57' ' ' ASN . 42.9 p -104.39 170.08 8.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 45.8 t -46.59 135.21 7.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.647 0.737 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 4.39 2.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.2 m -119.88 -70.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 13.5 p -84.05 -24.09 30.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' C ' ' HB ' ' A' ' 58' ' ' THR . 33.5 mtm-85 61.53 36.82 16.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -91.3 152.1 20.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -49.42 101.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 pt -121.89 79.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -115.94 107.03 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -119.21 117.45 28.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.945 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 m -147.07 131.74 17.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.843 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -152.24 156.15 39.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.83 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.91 115.47 0.33 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 m -48.17 108.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.866 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 t -152.71 138.7 18.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.27 146.52 18.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.5 m -138.43 141.54 39.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.63 110.66 3.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.427 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 mt -66.42 85.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.333 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -120.36 127.44 26.31 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 130.65 19.73 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.0 m -110.1 133.15 53.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.64 139.42 9.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.9 m -88.08 73.93 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.33 . . . . 0.0 111.113 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.8 m -105.78 162.02 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.165 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.8 p -173.57 114.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.1 t -96.54 117.92 65.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.63 0.728 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -14.51 36.1 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.9 mm -74.65 -68.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.6 p -84.95 -8.66 58.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.1 mtt 42.33 53.58 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -128.63 173.58 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.87 -170.2 35.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.533 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 1.3 t80 -83.08 -43.92 15.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.6 p -62.16 -45.96 91.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -53.18 -53.73 46.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.463 HG23 ' HB2' ' A' ' 33' ' ' ARG . 50.3 mt -47.27 -62.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.2 m -61.25 -26.88 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -50.29 -54.44 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -73.32 -37.34 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.79 -29.16 1.43 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.471 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' HB2' HG23 ' A' ' 28' ' ' ILE . 74.8 mtm-85 -48.91 155.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.849 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' A' ' 34' ' ' LEU . 3.5 mm? -116.84 168.83 9.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.6 mm -97.02 132.27 41.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 m -134.81 176.44 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.1 t -140.8 154.43 46.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -108.86 -176.12 2.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 40' ' ' CYS . 13.2 mp0 -77.93 -62.72 1.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 39' ' ' GLU . 31.3 p -34.95 -43.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.33 28.95 0.95 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.534 ' CE1' ' CG2' ' A' ' 61' ' ' THR . 24.4 m170 -107.12 170.29 8.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.836 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.5 t -118.28 146.02 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.476 ' CD2' HD13 ' A' ' 49' ' ' LEU . 57.5 m-85 -156.71 176.46 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.7 m -100.21 172.84 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.4 t -64.88 -43.23 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -79.01 -55.87 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.3 m -42.79 -71.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.476 HD13 ' CD2' ' A' ' 44' ' ' PHE . 14.0 tp -44.75 -53.75 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -44.29 -43.56 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.55 -44.6 86.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.5 p -58.31 -40.13 81.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.3 mp -59.66 -48.91 79.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 5.3 pttm -75.7 -27.26 58.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 57.3 t-20 -73.5 -63.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.58 154.52 46.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.473 ' O ' HG23 ' A' ' 58' ' ' THR . 3.3 m-20 -89.49 42.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 57' ' ' ASN . 68.8 p -160.02 -178.9 7.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.436 ' N ' ' HA ' ' A' ' 63' ' ' ARG . 1.8 t -80.22 134.49 55.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 5.05 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.736 2.291 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.534 ' CG2' ' CE1' ' A' ' 42' ' ' HIS . 22.9 m -125.64 -51.38 1.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 64' ' ' LYS . 27.5 p -115.44 9.37 15.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' CYS . 7.5 ppt_? 33.39 36.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.852 ' O ' HG23 ' A' ' 66' ' ' ILE . 36.6 tttm -89.35 131.16 35.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -30.23 106.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 64' ' ' LYS . 10.2 pt -119.58 74.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' HIS . 56.1 m-80 -89.13 46.37 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' ASN . 1.2 t60 34.43 38.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.4 pttp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.425 HG22 ' HB2' ' A' ' 25' ' ' TYR . 17.2 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.831 0.348 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -148.9 115.72 5.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.9 t -101.42 118.33 60.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.661 0.743 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -14.38 36.0 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.721 2.281 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.505 HG21 ' HB3' ' A' ' 48' ' ' CYS . 11.6 mm -73.31 -56.75 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 22' ' ' MET . 24.5 p -103.44 2.14 33.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' CYS . 4.1 ptt? 36.59 48.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -117.97 159.11 23.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.13 -157.37 1.89 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.528 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.697 ' CE2' HG21 ' A' ' 29' ' ' VAL . 32.4 t80 -88.91 -59.79 2.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.93 0.395 . . . . 0.0 110.956 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.4 p -41.2 -54.97 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -48.96 -60.77 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.712 HG21 HD13 ' A' ' 35' ' ' ILE . 90.2 mt -49.15 -52.93 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.697 HG21 ' CE2' ' A' ' 25' ' ' TYR . 6.3 m -84.65 29.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -100.06 44.28 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.5 t30 66.72 41.69 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -136.89 -48.32 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -146.36 156.45 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -99.3 143.41 29.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.712 HD13 HG21 ' A' ' 28' ' ' ILE . 27.1 mm -73.62 110.16 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.91 167.12 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.7 p -135.41 163.68 29.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.9 p -127.43 164.46 21.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -71.51 -48.28 49.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.7 p -38.75 -37.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.54 37.07 1.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -131.06 160.02 35.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.4 t -109.75 138.58 36.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.515 ' CG ' HD13 ' A' ' 49' ' ' LEU . 89.7 m-85 -146.33 178.38 8.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.1 m -102.53 167.13 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.3 t -59.77 -54.05 50.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.5 -59.63 2.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.505 ' HB3' HG21 ' A' ' 20' ' ' ILE . 57.1 m -40.63 -67.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.515 HD13 ' CG ' ' A' ' 44' ' ' PHE . 14.9 tp -52.92 -63.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -40.33 -34.99 0.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.435 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 11.9 t70 -77.01 -40.28 47.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' LEU . 37.8 t -56.54 -52.04 66.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.4 mp -47.11 -36.12 7.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.435 ' CE ' ' HA ' ' A' ' 51' ' ' ASP . 44.8 mtmt -70.15 -43.99 69.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -80.24 -69.12 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.524 ' HB1' ' NH1' ' A' ' 63' ' ' ARG . . . -114.17 95.09 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' ALA . 86.3 m-20 -36.81 -52.98 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.0 p -65.5 160.98 21.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.8 t -59.33 135.21 88.46 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.36 2.83 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.354 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.2 m -117.03 -69.68 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.4 p -84.44 -24.58 29.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.524 ' NH1' ' HB1' ' A' ' 56' ' ' ALA . 14.5 mmt180 58.24 49.8 10.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.706 ' O ' HG23 ' A' ' 66' ' ' ILE . 14.2 tttp -113.86 143.2 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' LYS . 8.7 mmmm -37.72 102.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 64' ' ' LYS . 4.7 pt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.475 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 33.6 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.861 0.362 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.9 p -154.85 116.48 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.1 t -98.11 119.12 62.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.747 . . . . 0.0 110.851 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -16.24 37.33 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.478 HG21 ' HB3' ' A' ' 48' ' ' CYS . 29.8 mm -73.4 -67.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -83.07 -24.41 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.6 mtp 57.42 46.14 18.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.73 178.44 5.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.45 -172.39 45.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.442 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.786 ' CE1' HG21 ' A' ' 29' ' ' VAL . 9.8 t80 -81.07 -62.52 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.936 0.398 . . . . 0.0 110.924 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.9 p -42.57 -44.13 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.28 -54.75 43.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.3 mt -58.04 -41.02 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.786 HG21 ' CE1' ' A' ' 25' ' ' TYR . 15.3 m -91.71 30.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 tm0? -100.6 72.32 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.7 t30 39.71 45.85 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.78 -51.87 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 47' ' ' GLN . 22.7 mmt85 -134.85 -179.94 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 110.877 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.6 tp -128.01 165.59 20.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.7 mm -99.43 115.97 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.6 m -116.42 164.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.169 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.3 p -132.38 158.88 40.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.1 p -115.51 177.59 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -84.37 -48.55 9.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.4 p -40.78 -36.03 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.1 39.77 0.73 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -128.11 176.41 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 68.0 t -127.57 138.28 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.467 ' CG ' HD13 ' A' ' 49' ' ' LEU . 71.0 m-85 -150.47 171.66 16.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.9 m -97.23 171.0 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.9 p -59.84 -62.3 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.404 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 67.4 tp60 -62.32 -59.75 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.478 ' HB3' HG21 ' A' ' 20' ' ' ILE . 63.4 m -40.14 -65.34 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.467 HD13 ' CG ' ' A' ' 44' ' ' PHE . 15.5 tp -55.93 -51.87 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -50.08 -28.47 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -82.53 -32.31 28.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -79.02 -28.2 43.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.1 tp -58.0 -54.73 43.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 18.0 pttp -62.4 -48.3 80.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.463 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 40.9 t30 -48.11 -51.56 24.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.71 151.59 41.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -85.09 24.35 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.4 p -140.24 168.76 19.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.2 134.73 94.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 4.19 2.32 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 98.0 m -118.77 -69.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.24 -25.88 29.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.9 mtt85 64.21 38.35 8.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.432 ' O ' HG23 ' A' ' 66' ' ' ILE . 20.7 ttpt -97.19 147.79 23.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.8 99.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 64' ' ' LYS . 12.2 pt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.472 ' HB ' HG11 ' A' ' 43' ' ' VAL . 34.4 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.848 0.356 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -166.95 120.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.1 t -103.3 118.11 58.59 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -18.9 36.75 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.9 mm -67.37 -54.5 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' MET . 28.1 p -106.78 3.53 26.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.417 ' C ' ' O ' ' A' ' 21' ' ' CYS . 5.8 ptm 36.25 49.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -118.58 166.17 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.29 -165.38 29.89 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.494 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.742 ' O ' HG22 ' A' ' 29' ' ' VAL . 15.7 t80 -81.77 -54.73 5.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.974 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -49.23 -48.04 45.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.808 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -55.54 -54.94 37.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.483 HG21 HD13 ' A' ' 35' ' ' ILE . 58.9 mt -52.65 -51.16 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 25' ' ' TYR . 10.9 m -84.11 25.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -94.92 74.33 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.4 p30 44.93 43.77 7.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.51 -83.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.16 -174.5 2.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.811 0.339 . . . . 0.0 110.879 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.429 ' H ' ' CB ' ' A' ' 46' ' ' SER . 6.6 mt -119.63 166.01 13.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.496 HG13 ' CE2' ' A' ' 25' ' ' TYR . 47.2 mm -92.25 113.35 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 m -118.74 161.78 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.5 p -133.21 159.12 41.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.6 p -116.91 177.43 4.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.186 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -78.82 -47.52 16.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.9 p -42.57 -39.85 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.71 31.27 1.5 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -123.44 139.6 53.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.472 HG11 ' HB ' ' A' ' 16' ' ' VAL . 87.8 t -89.86 139.86 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -146.2 171.93 14.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.8 m -92.56 172.03 8.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.429 ' CB ' ' H ' ' A' ' 34' ' ' LEU . 40.0 t -62.41 -48.5 79.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' CYS . 0.7 OUTLIER -79.03 -61.32 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' GLN . 71.2 m -35.22 -70.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.0 tp -42.11 -61.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -44.81 -51.71 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -49.28 -39.59 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 p -69.17 -41.13 77.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 53' ' ' LEU . 3.6 mm? -61.76 -45.72 92.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -62.09 -58.76 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -68.41 -70.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.55 -178.15 6.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -118.26 -44.0 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.6 p -98.08 170.73 8.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.0 t -51.25 135.61 30.93 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.607 0.718 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.78 3.38 2.82 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.375 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.4 m -117.61 -71.57 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.5 p -84.08 -25.25 29.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 61.81 49.87 4.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 66' ' ' ILE . 17.3 ttmt -107.05 146.35 31.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.54 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' LYS . 5.0 pt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.473 HG22 ' HB2' ' A' ' 25' ' ' TYR . 26.8 m . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.823 0.344 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.2 p -169.0 114.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -105.68 119.12 53.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.65 0.738 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -13.53 34.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.307 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.3 mm -75.46 -67.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p -85.03 -20.65 30.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 17.7 mtp 53.54 49.58 19.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -121.2 173.32 7.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.562 ' O ' HD12 ' A' ' 28' ' ' ILE . . . -72.95 -159.03 4.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.747 ' O ' HG22 ' A' ' 29' ' ' VAL . 5.5 t80 -90.31 -45.2 9.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 110.94 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.8 t -67.63 -35.67 79.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -65.31 -23.04 66.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 24' ' ' GLY . 58.1 mt -88.99 -33.02 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.747 HG22 ' O ' ' A' ' 25' ' ' TYR . 8.8 m -107.56 23.91 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -75.63 48.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 69.65 37.35 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.09 -81.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.483 ' CD ' ' HB2' ' A' ' 47' ' ' GLN . 41.5 mtt180 -97.33 178.92 5.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.912 0.387 . . . . 0.0 110.819 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tp -130.89 165.14 23.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.9 mm -91.38 113.91 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.43 HG22 ' C ' ' A' ' 45' ' ' CYS . 6.4 m -119.25 152.86 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 t -122.25 162.87 20.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.5 p -118.1 168.26 10.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -74.87 -45.34 43.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 p -41.22 -43.76 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.85 29.27 0.82 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -121.54 175.98 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.69 139.66 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -148.43 175.93 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.43 ' C ' HG22 ' A' ' 36' ' ' VAL . 21.4 m -101.09 157.97 16.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.3 t -44.96 -59.4 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.483 ' HB2' ' CD ' ' A' ' 33' ' ' ARG . 4.9 mm100 -68.31 -62.87 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' GLN . 92.9 m -34.3 -66.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 tp -44.68 -61.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -47.09 -45.27 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.74 -34.64 69.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 p -76.83 -41.03 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 53' ' ' LEU . 1.7 mm? -63.92 -44.83 91.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -68.72 -30.85 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -85.39 -68.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.16 -177.47 6.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -108.32 -32.28 7.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.6 p -120.35 172.08 8.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 54.0 t -46.18 134.59 7.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 4.51 2.16 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.9 m -118.58 -67.76 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.0 p -87.88 -22.33 24.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 58.18 49.1 11.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -108.62 160.41 15.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -54.8 102.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.0 pt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.894 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.749 ' HB ' HG11 ' A' ' 43' ' ' VAL . 25.4 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.875 0.369 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.4 m -146.65 123.38 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 46.0 t -99.11 109.88 55.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 18' ' ' CYS . 54.0 Cg_endo -69.74 -12.49 33.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 mm -75.01 -59.51 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.5 p -90.18 -31.24 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.9 mtm 58.7 51.04 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.428 ' HB3' ' CB ' ' A' ' 27' ' ' GLU . 1.3 m-20 -111.25 -60.91 1.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.22 144.88 6.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.449 ' CD2' HG13 ' A' ' 35' ' ' ILE . 47.8 t80 -39.12 -57.29 1.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 110.923 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.521 ' O ' HG22 ' A' ' 29' ' ' VAL . 66.9 p -47.88 -48.32 31.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' GLN . 5.5 mp0 -65.41 -60.58 2.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.649 HG21 HD13 ' A' ' 35' ' ' ILE . 20.1 mt -37.11 -54.86 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 26' ' ' SER . 33.1 m -63.23 -32.69 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' GLU . 11.1 tt0 -67.49 -49.64 62.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -59.03 -58.46 8.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.97 48.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -135.67 161.16 36.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mt -100.54 152.36 20.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.649 HD13 HG21 ' A' ' 28' ' ' ILE . 35.2 mm -94.86 117.29 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.448 HG22 ' C ' ' A' ' 45' ' ' CYS . 21.7 m -111.54 160.72 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.1 t -133.43 139.95 47.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.4 p -98.07 147.36 24.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.81 -30.21 66.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.2 p -52.9 -28.33 22.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.29 40.15 0.76 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.667 ' NE2' HG21 ' A' ' 61' ' ' THR . 31.6 m80 -140.13 176.66 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.749 HG11 ' HB ' ' A' ' 16' ' ' VAL . 57.4 t -134.33 143.11 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.491 ' CD2' HD13 ' A' ' 49' ' ' LEU . 29.9 m-85 -158.06 178.78 9.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.448 ' C ' HG22 ' A' ' 36' ' ' VAL . 33.9 m -98.31 179.84 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.2 t -70.55 -47.18 61.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -78.9 -56.38 4.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.1 m -43.94 -66.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.491 HD13 ' CD2' ' A' ' 44' ' ' PHE . 11.9 tp -43.04 -61.86 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.93 -53.0 17.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -45.24 -32.58 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.0 m -83.49 -44.43 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.4 mt -54.08 -38.39 65.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -85.19 27.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -122.32 -65.24 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 57' ' ' ASN . . . -121.62 28.9 7.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.086 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 58' ' ' THR . 1.3 t30 35.29 43.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 57' ' ' ASN . 27.2 p -158.4 176.08 12.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 46.4 t -70.8 134.68 85.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 7.35 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.704 2.269 . . . . 0.0 112.402 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.667 HG21 ' NE2' ' A' ' 42' ' ' HIS . 98.2 m -124.01 -63.79 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -93.25 -18.76 22.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? 60.73 49.08 6.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.75 ' O ' HG23 ' A' ' 66' ' ' ILE . 66.9 tttt -114.31 145.29 41.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -46.96 106.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.75 HG23 ' O ' ' A' ' 64' ' ' LYS . 44.4 pt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.679 HG11 HG21 ' A' ' 35' ' ' ILE . 12.6 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.85 0.357 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.3 m -131.47 107.02 8.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 t -96.85 119.64 63.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -22.26 32.45 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.633 2.222 . . . . 0.0 112.375 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.0 mm -63.77 -63.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 p -89.03 -23.14 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 42.7 mtm 58.14 47.01 15.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -127.78 158.42 37.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.47 -164.34 1.19 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.443 ' HB2' ' CG2' ' A' ' 16' ' ' VAL . 11.9 t80 -87.28 -61.56 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.874 0.368 . . . . 0.0 110.941 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.3 p -41.48 -40.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -63.99 -52.54 59.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.534 HG21 ' CD1' ' A' ' 35' ' ' ILE . 58.7 mt -50.85 -46.1 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -76.86 -5.88 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -72.45 -61.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -61.1 -46.85 88.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 133.7 62.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 86.9 mtm-85 -131.46 160.53 34.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tp -104.24 142.93 33.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.679 HG21 HG11 ' A' ' 16' ' ' VAL . 39.8 mm -85.45 109.74 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 36.0 m -104.71 158.21 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 m -133.92 137.95 45.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.1 p -95.4 161.45 14.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.164 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -72.67 -44.72 61.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.0 p -40.07 -37.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.47 35.87 0.77 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.488 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -130.75 171.09 13.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.506 HG11 ' HB ' ' A' ' 16' ' ' VAL . 82.7 t -120.66 149.37 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.507 ' CD2' HD13 ' A' ' 49' ' ' LEU . 80.1 m-85 -154.1 -179.71 8.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 25.0 m -111.16 158.76 18.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 t -48.26 -53.17 18.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 48' ' ' CYS . 7.1 mm100 -72.09 -60.66 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 47' ' ' GLN . 83.3 m -37.09 -70.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.507 HD13 ' CD2' ' A' ' 44' ' ' PHE . 17.9 tp -49.12 -64.21 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' LEU . 57.9 mtt-85 -34.52 -43.44 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -64.3 -45.74 86.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 49' ' ' LEU . 47.0 t -67.65 -47.84 68.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.6 tp -44.71 -54.48 6.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -62.38 -37.2 84.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 2.4 m120 -58.94 -47.39 85.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.54 154.51 28.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -84.13 40.13 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.3 p -146.46 159.52 43.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.1 t -71.7 134.51 83.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.717 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 4.15 2.38 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.0 m -117.31 -69.4 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.6 p -86.82 -25.27 24.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 63.43 43.58 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 66' ' ' ILE . 19.7 ttmt -93.77 151.11 19.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 65' ' ' LYS . 2.9 tmtt? -51.36 87.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 64' ' ' LYS . 6.3 pt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 m . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.841 0.353 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.5 p -174.65 117.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.7 t -87.21 119.86 71.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -20.01 35.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.244 . . . . 0.0 112.323 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.6 mm -69.11 -69.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 p -81.15 -30.96 34.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.6 mtm 57.55 49.32 12.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.2 -74.14 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.79 154.12 6.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.453 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.509 ' CZ ' HG13 ' A' ' 35' ' ' ILE . 5.3 t80 -40.99 -68.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.925 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.407 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 40.0 t -48.5 -59.77 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.58 -33.46 1.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 25' ' ' TYR . 18.0 mt -76.04 -42.61 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' A' ' 26' ' ' SER . 15.6 m -89.81 20.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.095 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -105.36 71.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 64.66 37.17 7.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.38 -95.86 0.54 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.414 ' HG2' ' CB ' ' A' ' 47' ' ' GLN . 1.2 mpt_? -122.87 -175.68 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.379 . . . . 0.0 110.852 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.826 HD23 ' H ' ' A' ' 35' ' ' ILE . 1.2 tt -109.04 166.31 10.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.826 ' H ' HD23 ' A' ' 34' ' ' LEU . 14.6 mm -91.33 111.38 23.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.4 m -114.67 165.86 9.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.5 p -133.37 167.79 19.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.8 p -122.0 170.28 9.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -84.65 -19.99 32.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.0 p -67.82 -25.36 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.7 36.33 2.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -132.78 174.39 10.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.473 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 56.2 t -124.45 149.59 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.473 ' CG ' ' O ' ' A' ' 43' ' ' VAL . 90.2 m-85 -159.58 179.08 9.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.4 m -100.51 165.82 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -55.86 -58.84 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 48' ' ' CYS . 4.4 tp60 -69.61 -60.4 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 47' ' ' GLN . 83.3 m -35.59 -66.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 tp -43.65 -58.09 2.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' A' ' 50' ' ' ARG . 8.7 mtp-105 -50.81 -45.01 59.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.78 -29.14 62.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 t -81.56 -39.43 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 53' ' ' LEU . 2.7 mm? -66.51 -42.33 87.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -51.58 -46.93 63.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -81.81 -67.53 0.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.64 133.36 48.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.614 ' O ' HG23 ' A' ' 58' ' ' THR . 9.2 p30 -85.53 48.24 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 57' ' ' ASN . 22.2 p -161.73 171.82 17.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 35.2 t -73.19 130.59 84.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.665 0.745 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.01 2.44 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.6 m -113.84 -63.48 1.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -91.25 -26.35 19.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 64.4 49.94 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 65' ' ' LYS . 26.7 tttp -111.39 169.26 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.472 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 3.3 tppp? -64.85 101.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.9 pt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.853 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.5 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.838 0.351 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.0 p -136.68 110.61 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -73.76 118.0 65.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.618 0.723 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -12.57 33.19 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.364 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.519 HD11 ' HG3' ' A' ' 60' ' ' PRO . 12.9 mm -80.66 -70.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.2 p -81.53 -34.36 31.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.4 mtm 60.74 47.99 7.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -108.31 -69.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.649 ' O ' HD12 ' A' ' 28' ' ' ILE . . . 144.02 166.7 11.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.719 ' O ' HG22 ' A' ' 29' ' ' VAL . 2.3 t80 -64.85 -50.91 64.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.37 . . . . 0.0 110.867 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.8 t -55.08 -41.06 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 28' ' ' ILE . 5.3 mm-40 -77.22 -64.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.649 HD12 ' O ' ' A' ' 24' ' ' GLY . 19.6 mt -33.07 -46.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 25' ' ' TYR . 33.3 m -75.3 -44.88 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.483 ' N ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -39.32 -48.43 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -67.84 -59.28 3.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 149.68 42.71 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.54 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.0 mmt-85 -120.73 142.83 49.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mp -88.46 153.84 20.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.516 HG13 ' CE2' ' A' ' 25' ' ' TYR . 49.6 mm -96.01 115.41 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.1 m -109.19 173.53 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.9 p -147.52 158.68 44.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.6 p -114.45 160.31 19.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -72.71 -33.82 66.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.3 p -50.68 -31.74 17.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.77 34.39 1.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.431 ' CE1' ' HB ' ' A' ' 61' ' ' THR . 21.9 m170 -130.4 165.82 21.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.1 t -118.79 144.62 26.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.448 ' CG ' HD13 ' A' ' 49' ' ' LEU . 90.2 m-85 -152.77 168.88 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.1 m -90.28 172.46 8.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.5 p -64.0 -47.98 78.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -78.43 -58.41 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 75.4 m -39.28 -72.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.476 ' O ' HD23 ' A' ' 53' ' ' LEU . 15.0 tp -43.83 -60.59 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -46.06 -33.31 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -68.1 -44.89 75.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.55 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 67.7 m -65.64 -24.17 66.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 49' ' ' LEU . 3.6 mm? -79.12 -47.04 16.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -80.84 -10.02 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -113.33 -61.82 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 52' ' ' SER . . . -81.3 179.47 7.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -99.94 -50.32 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' CYS . 18.1 p -128.1 170.23 13.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' THR . 26.7 t -37.7 131.27 0.88 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.721 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.519 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.8 Cg_endo -69.77 5.74 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.346 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.431 ' HB ' ' CE1' ' A' ' 42' ' ' HIS . 3.4 m -117.83 -67.52 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.0 p -86.97 -19.86 28.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 44.8 mmm-85 54.58 50.34 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.449 ' O ' HG23 ' A' ' 66' ' ' ILE . 72.9 tttt -116.76 160.49 20.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.411 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 9.0 mmtm -50.33 114.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 64' ' ' LYS . 29.7 pt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.559 ' O ' HG23 ' A' ' 16' ' ' VAL . 34.2 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.747 0.308 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.5 p -126.65 109.7 12.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.5 t -99.73 123.46 47.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -25.92 27.98 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.359 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.8 mm -63.24 -65.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.9 p -83.82 -21.73 32.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.0 mtt 53.85 46.09 26.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -127.76 -177.31 4.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.27 -174.68 37.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.593 ' CZ ' HG11 ' A' ' 29' ' ' VAL . 88.1 t80 -66.81 -54.1 26.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.897 0.38 . . . . 0.0 110.894 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.437 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 26.3 t -50.17 -39.52 43.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.1 tm-20 -65.73 -42.33 91.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.3 mt -67.54 -48.04 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.593 HG11 ' CZ ' ' A' ' 25' ' ' TYR . 25.0 m -66.7 -44.19 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.455 ' N ' HG23 ' A' ' 29' ' ' VAL . 15.0 mm-40 -34.16 -59.74 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 27' ' ' GLU . 1.4 p30 -61.72 -41.01 97.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' VAL . . . 117.45 54.85 0.3 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.45 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -119.03 174.86 6.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mt -111.91 156.4 22.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.526 HG21 HG11 ' A' ' 16' ' ' VAL . 30.7 mm -100.3 113.69 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.165 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.8 m -110.42 156.08 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.6 m -128.74 133.82 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 p -86.86 143.18 27.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -64.48 -24.79 67.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.3 p -61.06 -24.58 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.07 41.42 1.08 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -142.58 165.14 28.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.0 t -116.61 140.06 40.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.522 ' CG ' HD13 ' A' ' 49' ' ' LEU . 97.6 m-85 -147.85 174.55 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.5 m -102.15 160.61 14.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.4 p -55.32 -47.85 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -74.01 -54.3 8.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 84.0 m -46.16 -67.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.522 HD13 ' CG ' ' A' ' 44' ' ' PHE . 12.7 tp -49.35 -58.18 5.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -42.78 -43.79 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -73.76 -37.83 64.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.5 t -59.49 -53.01 63.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 mp -43.86 -43.81 6.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.981 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -63.84 -53.32 52.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -67.22 -65.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.36 98.0 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -38.18 -46.46 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.2 p -90.19 172.61 8.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.6 t -54.2 134.37 60.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.459 ' HG2' ' CE1' ' A' ' 44' ' ' PHE . 54.2 Cg_endo -69.72 4.72 2.01 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.6 m -118.05 -71.34 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.7 p -88.05 -23.03 23.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 64.09 38.07 8.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -96.54 154.08 17.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -50.83 106.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.4 pt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.844 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 15.5 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.823 0.344 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -169.26 106.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.0 t -92.51 118.93 68.23 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -16.27 37.48 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.703 2.268 . . . . 0.0 112.359 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.6 mm -75.2 -65.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.131 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 22' ' ' MET . 29.3 p -92.22 -30.72 15.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 26.4 ptm 45.08 41.44 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.42 -68.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 148.64 129.85 1.86 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.77 ' O ' HG13 ' A' ' 29' ' ' VAL . 92.0 t80 -34.67 -43.09 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.733 ' O ' HG22 ' A' ' 29' ' ' VAL . 74.3 m -52.68 -57.35 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.849 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.26 -46.5 86.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.817 HG23 ' HG3' ' A' ' 33' ' ' ARG . 65.1 mt -54.97 -40.8 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.172 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 25' ' ' TYR . 16.0 m -76.64 -22.42 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.45 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 13.1 tm0? -71.61 68.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 12.4 p30 48.85 43.4 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.69 -73.09 0.56 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.817 ' HG3' HG23 ' A' ' 28' ' ' ILE . 9.5 ptt-85 -154.05 164.41 38.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.366 . . . . 0.0 110.85 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -91.04 158.62 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 35' ' ' ILE . 1.1 mp -88.1 109.12 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 44' ' ' PHE . 7.7 m -107.98 158.9 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 90.8 p -134.69 153.31 52.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.7 p -110.84 177.25 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -81.05 -34.9 32.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.8 p -51.03 -34.22 28.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.35 27.73 3.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.582 ' CE1' ' CG2' ' A' ' 61' ' ' THR . 13.1 m170 -115.45 177.05 4.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.839 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.6 t -124.71 139.78 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.507 ' CG ' HD13 ' A' ' 49' ' ' LEU . 58.4 m-85 -152.94 168.73 24.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.4 m -100.2 157.5 16.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 99.7 p -49.79 -48.7 50.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -69.52 -66.97 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 56.5 m -38.49 -70.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.507 HD13 ' CG ' ' A' ' 44' ' ' PHE . 14.9 tp -43.65 -62.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -45.93 -37.03 5.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.76 -32.97 66.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -71.18 -48.62 50.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.6 mp -45.3 -41.45 8.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 8.4 ptmm? -85.65 -42.31 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.464 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 3.1 t30 -64.74 -65.83 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.0 173.61 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -97.58 -33.89 11.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.427 ' HB ' ' C ' ' A' ' 63' ' ' ARG . 11.8 p -131.2 -176.03 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.448 ' HB3' ' N ' ' A' ' 63' ' ' ARG . 1.9 t -53.3 128.36 49.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.716 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 4.86 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.582 ' CG2' ' CE1' ' A' ' 42' ' ' HIS . 24.6 m -125.68 -50.43 1.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' LYS . 32.0 p -118.4 11.29 12.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.496 ' CD ' ' O ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER 31.7 37.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.858 ' O ' HG23 ' A' ' 66' ' ' ILE . 24.7 tttm -97.59 130.8 44.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.2 mmpt? -33.75 105.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.858 HG23 ' O ' ' A' ' 64' ' ' LYS . 38.8 pt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.806 0.336 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.6 m -158.26 124.85 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.4 t -104.04 118.14 57.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.732 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 -17.97 36.96 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.335 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.5 mm -66.86 -71.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.9 p -82.49 -31.54 29.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.1 mtm 61.11 49.68 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 23' ' ' ASP . 0.6 OUTLIER -100.57 -68.4 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.76 142.98 5.1 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.777 ' O ' HG22 ' A' ' 29' ' ' VAL . 34.1 t80 -40.58 -59.53 1.34 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.885 0.374 . . . . 0.0 110.933 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -46.69 -31.53 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 30' ' ' GLN . 12.1 tt0 -86.0 -63.35 1.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.405 HD11 ' OD1' ' A' ' 23' ' ' ASP . 14.0 mt -44.86 -41.21 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.777 HG22 ' O ' ' A' ' 25' ' ' TYR . 15.4 m -76.47 -23.41 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 27' ' ' GLU . 32.3 tt0 -78.71 70.41 5.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 m120 58.25 41.91 22.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -115.08 -86.82 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.9 mtm-85 -144.29 -175.32 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.332 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tp -101.83 141.59 34.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 35' ' ' ILE . 1.4 mp -77.89 108.7 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 44' ' ' PHE . 16.9 m -105.88 162.78 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.2 p -131.07 157.66 42.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.5 p -121.27 149.2 43.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' CYS . 4.2 pt-20 -52.22 -54.55 29.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' GLU . 21.1 p -35.03 -43.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.46 25.44 1.61 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -114.0 170.9 7.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.492 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 56.7 t -120.07 149.19 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.492 ' CG ' ' O ' ' A' ' 43' ' ' VAL . 56.7 m-85 -159.96 178.11 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.4 m -103.78 157.04 17.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -47.34 -63.35 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -60.2 -58.35 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 84.6 m -42.97 -64.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' SER . 15.5 tp -56.49 -57.64 11.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -45.29 -35.61 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -81.57 -25.61 35.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' LEU . 6.3 t -75.77 -40.04 55.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.436 ' CD1' ' HG ' ' A' ' 49' ' ' LEU . 7.2 mp -51.86 -52.85 46.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -73.69 -51.34 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -52.76 -62.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.13 163.18 13.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -80.33 -40.22 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.424 ' HB ' ' C ' ' A' ' 63' ' ' ARG . 7.8 p -134.54 176.51 8.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.173 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' THR . 10.6 t -37.64 133.61 0.81 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 8.35 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.73 2.286 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.4 m -124.44 -75.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.2 p -84.89 -14.93 46.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.424 ' C ' ' HB ' ' A' ' 58' ' ' THR . 26.0 mtm-85 58.33 52.37 7.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.662 ' O ' HG23 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -95.31 152.09 18.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -50.14 94.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 64' ' ' LYS . 32.4 pt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.865 0.364 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 t -159.25 129.7 5.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 22' ' ' MET . 43.2 t -95.6 121.24 62.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.673 0.749 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -14.85 36.79 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.413 HG21 ' HB3' ' A' ' 48' ' ' CYS . 28.6 mm -77.15 -56.7 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.8 p -95.15 -25.2 16.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' CYS . 67.9 mtt 62.87 49.49 3.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.2 161.6 29.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.0 -166.67 1.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.645 ' O ' HG22 ' A' ' 29' ' ' VAL . 1.8 t80 -90.81 -41.89 10.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -56.96 -43.23 81.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.73 -52.93 62.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.7 mt -49.78 -62.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 25' ' ' TYR . 13.3 m -57.33 -33.09 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -62.48 -57.92 9.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -50.17 -45.72 53.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 129.85 44.26 0.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -125.66 154.3 42.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 35' ' ' ILE . 0.4 OUTLIER -97.2 139.9 32.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.694 ' N ' HD13 ' A' ' 34' ' ' LEU . 35.8 mm -79.13 106.8 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.3 m -106.45 170.62 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.6 t -151.8 153.29 33.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.9 p -107.13 167.73 9.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 40' ' ' CYS . 13.8 pt-20 -69.52 -51.16 38.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' GLU . 14.3 p -36.81 -40.66 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.73 42.55 0.45 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.592 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 8.6 m80 -133.71 138.81 46.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.361 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.4 t -92.66 136.9 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 42' ' ' HIS . 92.1 m-85 -143.03 168.09 20.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 39.2 m -94.55 163.96 13.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.7 p -51.96 -57.28 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 48' ' ' CYS . 5.6 tt0 -69.87 -62.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 47' ' ' GLN . 74.6 m -34.48 -68.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.479 HD13 ' CG ' ' A' ' 44' ' ' PHE . 18.6 tp -50.28 -63.24 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.9 mtt-85 -38.94 -44.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.91 -44.92 94.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 42.1 t -62.35 -34.11 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 53' ' ' LEU . 1.3 mm? -69.23 -43.15 74.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -65.7 -59.41 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -73.78 -63.61 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 52' ' ' SER . . . -82.64 -177.25 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -124.14 -60.69 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' CYS . 64.2 p -87.23 159.05 18.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.179 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 58' ' ' THR . 16.7 t -35.59 130.29 0.56 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.718 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.422 ' HG2' ' CE1' ' A' ' 44' ' ' PHE . 53.0 Cg_endo -69.79 6.32 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.631 2.221 . . . . 0.0 112.34 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.3 m -120.25 -60.6 1.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.9 p -95.38 -21.2 18.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.411 ' C ' ' HB ' ' A' ' 58' ' ' THR . 8.7 mtp180 59.79 40.9 18.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.601 ' O ' HG23 ' A' ' 66' ' ' ILE . 1.4 tmtp? -98.25 148.24 23.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.467 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 18.3 tptt -47.06 99.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.601 HG23 ' O ' ' A' ' 64' ' ' LYS . 26.5 pt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.409 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 12.6 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.845 0.355 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.8 m -146.23 113.2 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.7 t -95.51 119.37 65.37 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.671 0.748 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -20.02 35.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.254 . . . . 0.0 112.364 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -68.43 -62.94 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.4 p -88.96 -19.91 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.9 mtm 57.48 43.98 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -113.88 -179.63 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.82 -175.45 33.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.475 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.666 ' O ' HG13 ' A' ' 29' ' ' VAL . 35.7 t80 -77.66 -42.58 34.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.913 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -64.89 -29.12 70.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.817 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -75.52 -56.45 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 33' ' ' ARG . 38.1 mt -52.78 -43.21 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.666 HG13 ' O ' ' A' ' 25' ' ' TYR . 5.9 m -74.05 -27.9 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -68.27 70.42 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 m120 51.26 48.85 22.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -123.02 -83.83 0.65 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HD2' ' CB ' ' A' ' 47' ' ' GLN . 12.7 mmp_? -138.95 168.98 18.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.823 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp -94.35 133.34 38.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.8 mm -69.57 117.46 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 m -117.2 153.38 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.0 p -121.24 150.58 41.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.4 p -113.94 159.58 19.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -74.35 -45.15 48.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.413 ' HB3' ' CG2' ' A' ' 66' ' ' ILE . 24.5 p -39.28 -38.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.8 42.33 0.45 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.477 ' CE1' ' HB ' ' A' ' 61' ' ' THR . 23.2 m170 -139.7 -175.14 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.8 t -135.74 143.34 36.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.437 ' CE1' ' HG2' ' A' ' 60' ' ' PRO . 89.6 m-85 -153.84 -179.25 7.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 5.0 m -106.2 153.23 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.4 t -38.48 -71.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.459 ' CB ' ' HD2' ' A' ' 33' ' ' ARG . 5.5 tp-100 -56.6 -66.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 47' ' ' GLN . 82.3 m -33.08 -63.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 53' ' ' LEU . 14.1 tp -52.45 -59.18 4.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -44.79 -40.75 6.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.7 -42.47 97.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.404 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 47.1 t -70.38 -28.8 65.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 49' ' ' LEU . 3.7 mm? -77.89 -40.9 38.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 7.4 ptmt -71.89 -41.52 67.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -71.94 -38.05 69.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.458 ' N ' ' OD1' ' A' ' 55' ' ' ASN . . . -148.38 170.41 18.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.525 ' O ' HG23 ' A' ' 58' ' ' THR . 43.2 t30 -110.96 52.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 57' ' ' ASN . 24.0 p -159.25 167.42 29.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.0 t -84.23 135.05 42.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.437 ' HG2' ' CE1' ' A' ' 44' ' ' PHE . 53.6 Cg_endo -69.75 7.59 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.477 ' HB ' ' CE1' ' A' ' 42' ' ' HIS . 11.2 m -122.5 -71.52 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.2 p -79.03 -20.72 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 60.35 42.22 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -95.05 168.81 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.61 55.41 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.413 ' CG2' ' HB3' ' A' ' 40' ' ' CYS . 18.4 pt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.586 HG22 ' HB2' ' A' ' 25' ' ' TYR . 26.0 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.851 0.358 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.52 125.56 4.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 22' ' ' MET . 47.2 t -100.58 120.52 55.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -8.6 24.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.5 mm -85.63 -54.11 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.147 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.455 ' SG ' ' CG ' ' A' ' 23' ' ' ASP . 7.7 p -99.72 -25.96 14.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' CYS . 52.6 mmm 67.06 55.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.565 ' OD1' HD11 ' A' ' 28' ' ' ILE . 26.2 p30 -128.16 161.9 28.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.404 ' O ' HD12 ' A' ' 28' ' ' ILE . . . -68.98 -128.3 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.753 ' O ' HG22 ' A' ' 29' ' ' VAL . 34.2 t80 -117.41 -43.75 2.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.924 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.3 t -61.5 -49.49 76.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -50.58 -55.97 13.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.565 HD11 ' OD1' ' A' ' 23' ' ' ASP . 62.9 mt -51.86 -53.49 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 25' ' ' TYR . 29.4 m -79.73 10.63 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.164 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -80.82 55.81 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.2 t30 57.55 44.27 21.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.31 -57.02 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -145.76 165.9 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 tp -102.97 160.97 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.2 mm -89.7 112.78 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 44' ' ' PHE . 21.1 m -114.35 170.52 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.9 p -133.04 177.27 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.2 p -137.64 155.59 48.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 40' ' ' CYS . 19.9 tt0 -58.28 -53.2 61.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' GLU . 14.8 p -36.65 -42.56 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.19 29.65 1.44 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -118.02 174.87 5.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.794 0.33 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.3 t -118.49 142.4 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.468 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 96.8 m-85 -153.76 165.09 37.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.9 m -92.37 162.02 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 t -49.39 -65.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 48' ' ' CYS . 5.3 tp60 -61.75 -64.83 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 47' ' ' GLN . 69.5 m -33.81 -65.48 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.4 tp -50.15 -63.25 1.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -43.2 -36.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -67.57 -42.85 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 3.7 t -66.19 -24.57 66.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 53' ' ' LEU . 1.1 mm? -78.44 -47.08 18.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -22.31 60.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -101.91 -68.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 52' ' ' SER . . . -76.49 169.77 17.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.069 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -96.59 -41.48 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 p -128.21 173.6 9.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.48 ' N ' HD11 ' A' ' 66' ' ' ILE . 37.0 t -42.33 132.99 2.69 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 3.4 2.8 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.8 m -114.72 -68.73 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.3 p -84.24 -31.74 24.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 70.67 43.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 65' ' ' LYS . 21.5 tttm -102.65 154.02 19.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.422 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 3.3 mmmm -50.5 108.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.48 HD11 ' N ' ' A' ' 59' ' ' CYS . 9.0 pt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.821 0.343 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.4 p -142.36 113.68 7.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.7 t -101.9 122.75 46.18 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -23.43 30.76 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.7 mm -66.18 -64.99 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.8 p -83.64 -24.72 31.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 23.3 mtt 56.23 43.61 26.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -127.4 171.02 11.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.25 -168.32 18.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.697 ' CZ ' HG11 ' A' ' 29' ' ' VAL . 30.0 t80 -84.11 -49.54 8.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.921 0.391 . . . . 0.0 110.967 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -48.45 -45.36 36.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.5 -56.4 22.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.9 mt -49.15 -50.79 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.697 HG11 ' CZ ' ' A' ' 25' ' ' TYR . 24.2 m -70.1 -25.03 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -68.13 -61.89 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -48.8 -42.25 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.16 44.53 0.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 47' ' ' GLN . 11.5 mmt180 -122.07 171.73 8.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.926 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.9 mt -120.06 152.47 37.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.1 mm -91.56 122.3 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.1 m -120.25 167.51 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.7 p -138.15 147.84 44.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.4 p -103.98 172.8 6.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 40' ' ' CYS . 5.9 mm-40 -74.33 -54.66 7.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' GLU . 15.6 p -35.11 -42.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.77 39.38 0.53 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.507 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 10.1 m80 -127.4 155.9 42.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.2 t -107.58 138.13 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.625 ' CG ' HD13 ' A' ' 49' ' ' LEU . 90.7 m-85 -148.29 176.16 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 55.1 m -99.8 171.93 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.7 t -64.6 -52.4 57.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 33' ' ' ARG . 8.4 tt0 -71.97 -51.61 21.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.4 m -46.28 -68.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.625 HD13 ' CG ' ' A' ' 44' ' ' PHE . 12.1 tp -54.66 -48.05 72.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -49.34 -40.75 36.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -75.31 -34.78 61.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 m -65.06 -42.65 94.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 49' ' ' LEU . 9.6 mp -48.92 -52.41 24.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -73.86 -46.19 46.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.461 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 53.5 t30 -54.45 -69.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.34 -176.85 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -100.84 -44.06 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 59' ' ' CYS . 14.7 p -121.9 171.7 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' THR . 5.9 t -34.54 130.99 0.44 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 7.5 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.7 m -121.13 -66.38 1.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.3 p -90.88 -19.19 23.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 59.44 51.24 6.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.62 ' O ' HG23 ' A' ' 66' ' ' ILE . 14.5 ttmm -112.07 147.89 35.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -42.47 110.56 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.62 HG23 ' O ' ' A' ' 64' ' ' LYS . 22.0 pt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.856 0.36 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.2 t -158.95 129.44 5.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.6 t -74.72 118.72 72.42 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.732 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -13.37 34.48 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.309 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.475 HG21 ' HB3' ' A' ' 48' ' ' CYS . 12.2 mm -77.36 -67.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 p -83.9 -26.97 28.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 62.7 mtm 59.31 53.68 5.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.18 -64.59 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.52 146.65 5.23 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.593 ' HA ' HD12 ' A' ' 28' ' ' ILE . 1.2 t80 -42.95 -54.01 4.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.914 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -60.24 -46.46 89.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -63.02 -23.58 67.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.765 HG23 ' HB2' ' A' ' 33' ' ' ARG . 17.5 mt -80.67 -67.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.493 HG11 ' HE1' ' A' ' 25' ' ' TYR . 27.8 m -45.51 -30.85 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -76.19 -58.48 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -45.81 -75.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.78 39.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.765 ' HB2' HG23 ' A' ' 28' ' ' ILE . 18.5 mmt85 -131.48 148.56 52.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tp -91.5 157.82 16.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.447 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 40.0 mm -97.46 118.64 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 45' ' ' CYS . 7.0 m -121.46 166.52 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.8 p -136.22 160.14 39.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.2 p -115.63 176.26 5.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.778 ' OE2' HG22 ' A' ' 66' ' ' ILE . 2.8 pp20? -81.75 -48.31 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' GLU . 18.3 p -36.39 -41.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.04 33.53 0.68 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -130.07 172.69 11.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.1 t -126.18 142.93 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.503 ' CD1' HD13 ' A' ' 49' ' ' LEU . 38.8 m-85 -149.52 169.46 20.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.474 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 29.8 m -86.01 -176.87 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -69.36 -61.46 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 48' ' ' CYS . 19.2 mm-40 -67.96 -56.98 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.475 ' HB3' HG21 ' A' ' 20' ' ' ILE . 59.7 m -37.12 -65.84 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.503 HD13 ' CD1' ' A' ' 44' ' ' PHE . 17.1 tp -51.87 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -40.11 -31.75 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -75.59 -39.61 57.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' LEU . 66.8 m -67.73 -22.93 65.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 53' ' ' LEU . 1.8 mm? -70.44 -46.02 64.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -83.45 -33.95 25.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -72.26 -55.59 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.05 167.09 10.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -91.26 -47.86 7.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' CYS . 39.5 p -109.58 167.73 9.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' THR . 46.0 t -37.51 134.9 0.75 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 4.68 2.05 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.229 . . . . 0.0 112.391 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.6 m -120.78 -72.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.2 p -80.21 -24.82 39.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.4 ' C ' ' HB ' ' A' ' 58' ' ' THR . 22.2 mtt85 62.66 42.75 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.52 ' O ' HG23 ' A' ' 66' ' ' ILE . 37.1 ttmt -103.95 145.87 29.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.35 105.3 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.778 HG22 ' OE2' ' A' ' 39' ' ' GLU . 9.1 pt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.896 ' HB ' HG11 ' A' ' 43' ' ' VAL . 28.6 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.801 0.334 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.6 m -146.1 105.66 3.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 22' ' ' MET . 35.2 t -94.08 115.65 65.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.73 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -15.25 37.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.728 2.286 . . . . 0.0 112.345 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.7 mm -74.72 -60.66 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' SG ' ' CG ' ' A' ' 23' ' ' ASP . 29.4 p -102.56 -26.87 13.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' CYS . 19.0 ptt? 44.35 39.57 3.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 23' ' ' ASP . 1.1 p30 -71.3 -66.13 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 146.73 129.66 2.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.715 ' HB2' HG22 ' A' ' 16' ' ' VAL . 19.3 t80 -32.17 -53.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.918 0.39 . . . . 0.0 110.944 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.587 ' O ' HG22 ' A' ' 29' ' ' VAL . 34.2 p -60.36 -55.59 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -48.07 -62.69 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.669 HG23 ' HB2' ' A' ' 33' ' ' ARG . 19.7 mt -43.92 -63.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 26' ' ' SER . 14.6 m -55.87 -28.35 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 35.5 tt0 -72.78 68.83 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 1.0 OUTLIER 48.78 40.96 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 33' ' ' ARG . . . -115.02 -59.05 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.669 ' HB2' HG23 ' A' ' 28' ' ' ILE . 76.5 mtt85 -162.06 177.5 9.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.632 HD23 ' N ' ' A' ' 35' ' ' ILE . 4.8 tt -96.76 148.4 22.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.632 ' N ' HD23 ' A' ' 34' ' ' LEU . 48.7 mm -93.48 116.74 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.06 162.67 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 p -131.57 143.61 50.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.5 p -112.36 168.83 9.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 40' ' ' CYS . 14.9 pt-20 -77.16 -49.24 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 39' ' ' GLU . 31.8 p -38.06 -41.6 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.54 38.98 0.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -134.09 160.03 39.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.846 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.896 HG11 ' HB ' ' A' ' 16' ' ' VAL . 98.0 t -113.11 143.07 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -149.16 -174.96 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.1 m -116.16 148.49 40.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -38.12 -53.82 1.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -65.97 -59.63 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.5 m -43.63 -68.29 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.5 tp -49.5 -54.86 15.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -47.48 -41.49 20.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.04 -38.73 72.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -67.87 -36.41 80.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tp -50.35 -48.06 55.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -78.95 -44.37 22.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -60.82 -66.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.69 111.8 23.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -43.58 -44.82 6.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.483 HG22 ' HA ' ' A' ' 65' ' ' LYS . 14.8 p -96.88 177.0 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.7 t -55.22 134.55 68.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.708 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 2.98 3.02 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.9 m -115.68 -69.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.165 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.5 p -81.93 -29.26 32.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.3 mtm-85 67.83 45.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.962 ' O ' HG23 ' A' ' 66' ' ' ILE . 37.1 ttmt -115.88 138.19 51.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.483 ' HA ' HG22 ' A' ' 58' ' ' THR . 10.8 ttmt -36.84 105.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.962 HG23 ' O ' ' A' ' 64' ' ' LYS . 21.2 pt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.724 HG22 ' HB2' ' A' ' 25' ' ' TYR . 35.1 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.778 0.323 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.9 p -139.35 109.99 6.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.7 t -95.8 120.69 62.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -21.05 34.02 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.433 HG21 ' HB3' ' A' ' 48' ' ' CYS . 25.3 mm -66.11 -65.31 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 p -86.44 -25.58 25.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.7 mmm 61.78 44.24 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -120.53 173.96 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.98 -177.74 50.02 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.724 ' HB2' HG22 ' A' ' 16' ' ' VAL . 15.0 t80 -69.77 -66.62 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.929 0.395 . . . . 0.0 110.934 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.2 p -40.18 -60.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -41.34 -44.5 2.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.28 -43.64 91.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.539 HG21 ' CZ ' ' A' ' 25' ' ' TYR . 15.9 m -95.03 27.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -94.52 38.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 72.95 42.9 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.04 -40.07 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.518 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.5 mtt-85 -150.87 169.43 21.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 110.884 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 35' ' ' ILE . 3.2 tt -112.89 158.05 20.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.797 ' N ' HD23 ' A' ' 34' ' ' LEU . 25.7 mm -90.31 116.6 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.5 m -116.78 152.56 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 m -124.64 156.39 37.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.8 p -122.98 175.12 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' CYS . 15.3 pt-20 -83.38 -53.47 5.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' GLU . 22.0 p -34.59 -40.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.87 44.63 0.45 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -141.41 144.57 34.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.8 t -101.47 136.37 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CD2' HD13 ' A' ' 49' ' ' LEU . 53.0 m-85 -140.68 176.9 8.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.7 m -100.96 175.56 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -61.37 -61.49 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -65.51 -56.47 12.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.433 ' HB3' HG21 ' A' ' 20' ' ' ILE . 61.0 m -40.98 -65.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.551 HD13 ' CD2' ' A' ' 44' ' ' PHE . 15.4 tp -55.97 -56.75 16.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -50.1 -26.6 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -83.91 -34.81 24.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 56' ' ' ALA . 11.5 m -70.59 -30.3 66.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.2 mp -70.33 -56.4 6.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -35.16 77.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -84.53 -66.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 52' ' ' SER . . . -90.13 146.49 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.865 HD22 HG23 ' A' ' 58' ' ' THR . 1.0 OUTLIER -79.89 -46.38 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.865 HG23 HD22 ' A' ' 57' ' ' ASN . 68.5 p -103.93 170.41 7.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.5 t -51.96 134.76 38.53 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.659 0.743 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 5.9 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.35 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.4 m -122.01 -71.04 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.8 p -84.84 -23.29 29.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.423 ' C ' ' HB ' ' A' ' 58' ' ' THR . 12.6 mmt180 65.25 54.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -103.49 175.95 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' N ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -81.36 38.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.1 pt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 179.896 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.545 HG22 ' HB2' ' A' ' 25' ' ' TYR . 17.9 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.864 0.364 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.4 m -126.9 105.18 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.7 t -100.14 118.9 60.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -12.13 32.3 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.639 2.226 . . . . 0.0 112.373 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mm -78.26 -56.44 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.419 ' C ' ' HG2' ' A' ' 22' ' ' MET . 26.9 p -101.5 0.92 37.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.419 ' HG2' ' C ' ' A' ' 21' ' ' CYS . 6.0 ptt? 36.52 44.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -118.88 170.75 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.413 ' O ' HD12 ' A' ' 28' ' ' ILE . . . -86.57 -164.76 40.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.757 ' CZ ' HG11 ' A' ' 29' ' ' VAL . 47.9 t80 -79.09 -44.4 22.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 110.952 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.457 ' HA ' HG22 ' A' ' 29' ' ' VAL . 75.1 p -62.52 -35.23 78.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -69.96 -31.06 68.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 24' ' ' GLY . 43.6 mt -79.91 -49.03 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.757 HG11 ' CZ ' ' A' ' 25' ' ' TYR . 18.2 m -68.01 -29.6 45.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -69.97 -67.32 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.488 ' OD1' ' CZ ' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -42.56 -34.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.65 62.25 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.488 ' CZ ' ' OD1' ' A' ' 31' ' ' ASN . 79.0 mtm-85 -143.98 161.18 39.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.71 162.99 12.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.8 mm -102.68 113.55 39.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -115.83 165.82 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 p -141.48 170.71 15.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.5 p -127.55 158.72 36.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -73.43 -13.79 61.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.6 p -71.97 -24.02 61.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.21 28.13 5.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.461 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . 22.6 m170 -127.17 144.93 50.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.2 t -103.01 142.22 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' A' ' 42' ' ' HIS . 47.9 m-85 -147.92 -179.54 6.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 60.9 m -99.89 174.66 6.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.8 p -65.32 -46.87 78.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 48' ' ' CYS . 0.9 OUTLIER -81.29 -57.92 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' GLN . 73.8 m -34.15 -64.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.7 tp -55.74 -42.62 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.422 HH21 HD22 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -55.07 -50.81 68.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.07 -25.75 67.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 m -84.81 -21.89 29.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.422 HD22 HH21 ' A' ' 50' ' ' ARG . 6.3 tp -70.67 -45.96 64.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -73.71 -44.36 56.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -58.7 -67.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.36 178.91 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.413 ' OD1' HG23 ' A' ' 58' ' ' THR . 2.5 t-20 -105.83 -41.58 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.413 HG23 ' OD1' ' A' ' 57' ' ' ASN . 42.9 p -104.39 170.08 8.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 45.8 t -46.59 135.21 7.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.647 0.737 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 4.39 2.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.2 m -119.88 -70.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 13.5 p -84.05 -24.09 30.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.4 ' C ' ' HB ' ' A' ' 58' ' ' THR . 33.5 mtm-85 61.53 36.82 16.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -91.3 152.1 20.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -49.42 101.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 pt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.829 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.8 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.791 0.329 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.8 p -173.57 114.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.1 t -96.54 117.92 65.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.63 0.728 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -14.51 36.1 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.9 mm -74.65 -68.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.6 p -84.95 -8.66 58.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.1 mtt 42.33 53.58 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -128.63 173.58 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.87 -170.2 35.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.533 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 1.3 t80 -83.08 -43.92 15.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.6 p -62.16 -45.96 91.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -53.18 -53.73 46.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.463 HG23 ' HB2' ' A' ' 33' ' ' ARG . 50.3 mt -47.27 -62.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.2 m -61.25 -26.88 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -50.29 -54.44 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -73.32 -37.34 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.79 -29.16 1.43 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.471 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.463 ' HB2' HG23 ' A' ' 28' ' ' ILE . 74.8 mtm-85 -48.91 155.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.849 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' A' ' 34' ' ' LEU . 3.5 mm? -116.84 168.83 9.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.6 mm -97.02 132.27 41.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 m -134.81 176.44 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.1 t -140.8 154.43 46.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -108.86 -176.12 2.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 40' ' ' CYS . 13.2 mp0 -77.93 -62.72 1.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 39' ' ' GLU . 31.3 p -34.95 -43.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.33 28.95 0.95 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.534 ' CE1' ' CG2' ' A' ' 61' ' ' THR . 24.4 m170 -107.12 170.29 8.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.836 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.5 t -118.28 146.02 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.476 ' CD2' HD13 ' A' ' 49' ' ' LEU . 57.5 m-85 -156.71 176.46 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.7 m -100.21 172.84 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.4 t -64.88 -43.23 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -79.01 -55.87 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.3 m -42.79 -71.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.476 HD13 ' CD2' ' A' ' 44' ' ' PHE . 14.0 tp -44.75 -53.75 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.408 ' C ' ' HD3' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -44.29 -43.56 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.55 -44.6 86.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.5 p -58.31 -40.13 81.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.3 mp -59.66 -48.91 79.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 5.3 pttm -75.7 -27.26 58.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.403 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 57.3 t-20 -73.5 -63.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.58 154.52 46.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.473 ' O ' HG23 ' A' ' 58' ' ' THR . 3.3 m-20 -89.49 42.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 57' ' ' ASN . 68.8 p -160.02 -178.9 7.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.436 ' N ' ' HA ' ' A' ' 63' ' ' ARG . 1.8 t -80.22 134.49 55.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 5.05 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.736 2.291 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.534 ' CG2' ' CE1' ' A' ' 42' ' ' HIS . 22.9 m -125.64 -51.38 1.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 64' ' ' LYS . 27.5 p -115.44 9.37 15.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' CYS . 7.5 ppt_? 33.39 36.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.852 ' O ' HG23 ' A' ' 66' ' ' ILE . 36.6 tttm -89.35 131.16 35.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -30.23 106.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 64' ' ' LYS . 10.2 pt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t -120.06 86.82 2.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.837 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 t -63.03 -48.77 77.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.28 49.91 2.32 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.3 p -88.11 137.11 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.956 0.408 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -117.74 90.15 3.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.44 -156.52 32.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.9 p -105.91 -47.35 3.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.332 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.78 -151.09 8.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 11' ' ' ARG . 11.3 mt -128.34 130.22 47.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -35.86 142.04 0.31 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 0.0 110.875 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 13' ' ' SER . 54.1 Cg_endo -69.75 3.17 2.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.73 2.287 . . . . 0.0 112.33 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 12' ' ' PRO . 70.4 m -33.49 -64.23 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.68 174.12 21.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.9 p -140.0 143.58 36.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 111.179 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.425 HG22 ' HB2' ' A' ' 25' ' ' TYR . 17.2 m -42.88 151.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -148.9 115.72 5.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.9 t -101.42 118.33 60.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.661 0.743 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -14.38 36.0 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.721 2.281 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.505 HG21 ' HB3' ' A' ' 48' ' ' CYS . 11.6 mm -73.31 -56.75 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 22' ' ' MET . 24.5 p -103.44 2.14 33.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' CYS . 4.1 ptt? 36.59 48.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -117.97 159.11 23.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.13 -157.37 1.89 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.528 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.697 ' CE2' HG21 ' A' ' 29' ' ' VAL . 32.4 t80 -88.91 -59.79 2.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.93 0.395 . . . . 0.0 110.956 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.4 p -41.2 -54.97 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -48.96 -60.77 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.712 HG21 HD13 ' A' ' 35' ' ' ILE . 90.2 mt -49.15 -52.93 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.697 HG21 ' CE2' ' A' ' 25' ' ' TYR . 6.3 m -84.65 29.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -100.06 44.28 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.5 t30 66.72 41.69 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -136.89 -48.32 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -146.36 156.45 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 tp -99.3 143.41 29.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.712 HD13 HG21 ' A' ' 28' ' ' ILE . 27.1 mm -73.62 110.16 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.91 167.12 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.7 p -135.41 163.68 29.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.9 p -127.43 164.46 21.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -71.51 -48.28 49.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.7 p -38.75 -37.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.54 37.07 1.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -131.06 160.02 35.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.4 t -109.75 138.58 36.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.515 ' CG ' HD13 ' A' ' 49' ' ' LEU . 89.7 m-85 -146.33 178.38 8.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.1 m -102.53 167.13 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.3 t -59.77 -54.05 50.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.5 -59.63 2.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.505 ' HB3' HG21 ' A' ' 20' ' ' ILE . 57.1 m -40.63 -67.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD13 ' CG ' ' A' ' 44' ' ' PHE . 14.9 tp -52.92 -63.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -40.33 -34.99 0.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.435 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 11.9 t70 -77.01 -40.28 47.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' LEU . 37.8 t -56.54 -52.04 66.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.4 mp -47.11 -36.12 7.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.435 ' CE ' ' HA ' ' A' ' 51' ' ' ASP . 44.8 mtmt -70.15 -43.99 69.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -80.24 -69.12 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.524 ' HB1' ' NH1' ' A' ' 63' ' ' ARG . . . -114.17 95.09 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' ALA . 86.3 m-20 -36.81 -52.98 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.0 p -65.5 160.98 21.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.8 t -59.33 135.21 88.46 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.36 2.83 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.354 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.2 m -117.03 -69.68 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.4 p -84.44 -24.58 29.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.524 ' NH1' ' HB1' ' A' ' 56' ' ' ALA . 14.5 mmt180 58.24 49.8 10.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.706 ' O ' HG23 ' A' ' 66' ' ' ILE . 14.2 tttp -113.86 143.2 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' LYS . 8.7 mmmm -37.72 102.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 64' ' ' LYS . 4.7 pt -126.38 130.35 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -161.6 130.42 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.446 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 7.5 p80 -113.68 88.81 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.6 m -92.64 151.97 19.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.89 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.1 p -56.5 102.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.5 131.78 34.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.443 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 t -85.57 113.17 21.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.852 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -76.51 160.64 29.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.921 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.54 -157.25 44.96 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.1 p -89.1 155.23 19.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 111.15 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.99 -124.09 1.5 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 11' ' ' ARG . 5.4 mp -110.57 98.52 7.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.832 0.348 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.451 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 13.6 mmm180 36.32 53.65 2.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.647 0.737 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 11' ' ' ARG . 53.7 Cg_endo -69.78 167.21 25.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.622 2.214 . . . . 0.0 112.361 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.6 m -107.39 -46.88 3.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.24 178.21 19.44 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.577 ' O ' HG23 ' A' ' 15' ' ' THR . 10.0 t -160.16 110.77 1.87 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.797 0.332 . . . . 0.0 111.132 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.475 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 33.6 m -67.78 145.93 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.9 p -154.85 116.48 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.1 t -98.11 119.12 62.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.747 . . . . 0.0 110.851 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -16.24 37.33 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.478 HG21 ' HB3' ' A' ' 48' ' ' CYS . 29.8 mm -73.4 -67.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -83.07 -24.41 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.6 mtp 57.42 46.14 18.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.73 178.44 5.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.45 -172.39 45.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.442 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.786 ' CE1' HG21 ' A' ' 29' ' ' VAL . 9.8 t80 -81.07 -62.52 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.936 0.398 . . . . 0.0 110.924 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.9 p -42.57 -44.13 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.28 -54.75 43.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.3 mt -58.04 -41.02 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.786 HG21 ' CE1' ' A' ' 25' ' ' TYR . 15.3 m -91.71 30.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 tm0? -100.6 72.32 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.7 t30 39.71 45.85 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.78 -51.87 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 47' ' ' GLN . 22.7 mmt85 -134.85 -179.94 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 110.877 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.6 tp -128.01 165.59 20.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.7 mm -99.43 115.97 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.6 m -116.42 164.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.169 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.3 p -132.38 158.88 40.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.1 p -115.51 177.59 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -84.37 -48.55 9.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.4 p -40.78 -36.03 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.1 39.77 0.73 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -128.11 176.41 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 68.0 t -127.57 138.28 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.467 ' CG ' HD13 ' A' ' 49' ' ' LEU . 71.0 m-85 -150.47 171.66 16.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.9 m -97.23 171.0 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.9 p -59.84 -62.3 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.404 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 67.4 tp60 -62.32 -59.75 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.478 ' HB3' HG21 ' A' ' 20' ' ' ILE . 63.4 m -40.14 -65.34 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.467 HD13 ' CG ' ' A' ' 44' ' ' PHE . 15.5 tp -55.93 -51.87 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -50.08 -28.47 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -82.53 -32.31 28.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -79.02 -28.2 43.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.1 tp -58.0 -54.73 43.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 18.0 pttp -62.4 -48.3 80.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.463 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 40.9 t30 -48.11 -51.56 24.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.71 151.59 41.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -85.09 24.35 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.4 p -140.24 168.76 19.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.2 134.73 94.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 4.19 2.32 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 98.0 m -118.77 -69.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.24 -25.88 29.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.9 mtt85 64.21 38.35 8.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.432 ' O ' HG23 ' A' ' 66' ' ' ILE . 20.7 ttpt -97.19 147.79 23.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.8 99.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 64' ' ' LYS . 12.2 pt -115.09 175.86 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -67.23 135.71 53.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.87 114.03 18.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -109.23 100.79 9.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -157.35 105.32 2.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.79 91.79 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -54.56 144.0 22.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -52.49 149.73 5.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.18 -120.72 4.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.8 p -115.34 118.85 34.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 111.18 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.41 -128.51 5.79 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -94.14 140.94 29.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -110.03 76.0 0.95 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 98.19 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.367 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.0 m -70.13 152.42 44.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.71 98.41 1.09 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.446 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.2 p -114.11 136.68 52.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.813 0.34 . . . . 0.0 111.14 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.472 ' HB ' HG11 ' A' ' 43' ' ' VAL . 34.4 m -72.48 161.74 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -166.95 120.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.1 t -103.3 118.11 58.59 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -18.9 36.75 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.9 mm -67.37 -54.5 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' MET . 28.1 p -106.78 3.53 26.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.417 ' C ' ' O ' ' A' ' 21' ' ' CYS . 5.8 ptm 36.25 49.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -118.58 166.17 13.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.29 -165.38 29.89 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.494 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.742 ' O ' HG22 ' A' ' 29' ' ' VAL . 15.7 t80 -81.77 -54.73 5.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.974 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -49.23 -48.04 45.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.808 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -55.54 -54.94 37.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.483 HG21 HD13 ' A' ' 35' ' ' ILE . 58.9 mt -52.65 -51.16 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 25' ' ' TYR . 10.9 m -84.11 25.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -94.92 74.33 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.4 p30 44.93 43.77 7.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.51 -83.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.16 -174.5 2.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.811 0.339 . . . . 0.0 110.879 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.429 ' H ' ' CB ' ' A' ' 46' ' ' SER . 6.6 mt -119.63 166.01 13.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.496 HG13 ' CE2' ' A' ' 25' ' ' TYR . 47.2 mm -92.25 113.35 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 m -118.74 161.78 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.5 p -133.21 159.12 41.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.6 p -116.91 177.43 4.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.186 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -78.82 -47.52 16.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.9 p -42.57 -39.85 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.71 31.27 1.5 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -123.44 139.6 53.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.472 HG11 ' HB ' ' A' ' 16' ' ' VAL . 87.8 t -89.86 139.86 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -146.2 171.93 14.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.8 m -92.56 172.03 8.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.429 ' CB ' ' H ' ' A' ' 34' ' ' LEU . 40.0 t -62.41 -48.5 79.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' CYS . 0.7 OUTLIER -79.03 -61.32 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' GLN . 71.2 m -35.22 -70.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.0 tp -42.11 -61.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -44.81 -51.71 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -49.28 -39.59 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 p -69.17 -41.13 77.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 53' ' ' LEU . 3.6 mm? -61.76 -45.72 92.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -62.09 -58.76 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -68.41 -70.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.55 -178.15 6.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -118.26 -44.0 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.6 p -98.08 170.73 8.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.0 t -51.25 135.61 30.93 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.607 0.718 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.78 3.38 2.82 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.375 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.4 m -117.61 -71.57 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.5 p -84.08 -25.25 29.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 61.81 49.87 4.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 66' ' ' ILE . 17.3 ttmt -107.05 146.35 31.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.54 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' LYS . 5.0 pt -111.77 -11.17 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -97.07 110.98 23.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.428 ' CD2' ' H ' ' A' ' 68' ' ' HIS . 9.4 p80 -90.4 -45.77 8.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.0 tttm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -147.32 123.21 10.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 t -55.3 131.1 44.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.62 140.62 41.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 m -140.54 136.37 32.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -67.61 162.66 23.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.56 -179.03 16.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.5 m -131.06 121.83 25.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 111.121 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.7 134.27 9.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mp -117.56 78.9 1.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -128.89 148.3 68.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -179.52 2.98 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 14' ' ' GLY . 1.2 t -107.31 153.74 22.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 13' ' ' SER . . . -34.85 145.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.8 t -90.8 40.29 1.02 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.844 0.354 . . . . 0.0 111.156 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.473 HG22 ' HB2' ' A' ' 25' ' ' TYR . 26.8 m -119.56 168.44 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.2 p -169.0 114.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -105.68 119.12 53.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.65 0.738 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -13.53 34.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.307 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.3 mm -75.46 -67.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p -85.03 -20.65 30.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 17.7 mtp 53.54 49.58 19.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -121.2 173.32 7.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.562 ' O ' HD12 ' A' ' 28' ' ' ILE . . . -72.95 -159.03 4.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.747 ' O ' HG22 ' A' ' 29' ' ' VAL . 5.5 t80 -90.31 -45.2 9.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 110.94 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.8 t -67.63 -35.67 79.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -65.31 -23.04 66.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 24' ' ' GLY . 58.1 mt -88.99 -33.02 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.747 HG22 ' O ' ' A' ' 25' ' ' TYR . 8.8 m -107.56 23.91 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -75.63 48.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 69.65 37.35 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.09 -81.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.483 ' CD ' ' HB2' ' A' ' 47' ' ' GLN . 41.5 mtt180 -97.33 178.92 5.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.912 0.387 . . . . 0.0 110.819 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tp -130.89 165.14 23.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.9 mm -91.38 113.91 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.43 HG22 ' C ' ' A' ' 45' ' ' CYS . 6.4 m -119.25 152.86 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 t -122.25 162.87 20.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.5 p -118.1 168.26 10.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -74.87 -45.34 43.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 p -41.22 -43.76 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.85 29.27 0.82 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.452 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -121.54 175.98 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.69 139.66 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -148.43 175.93 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.43 ' C ' HG22 ' A' ' 36' ' ' VAL . 21.4 m -101.09 157.97 16.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.3 t -44.96 -59.4 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.483 ' HB2' ' CD ' ' A' ' 33' ' ' ARG . 4.9 mm100 -68.31 -62.87 1.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' GLN . 92.9 m -34.3 -66.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 tp -44.68 -61.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -47.09 -45.27 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.74 -34.64 69.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 p -76.83 -41.03 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 53' ' ' LEU . 1.7 mm? -63.92 -44.83 91.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -68.72 -30.85 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -85.39 -68.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.16 -177.47 6.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -108.32 -32.28 7.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.6 p -120.35 172.08 8.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 54.0 t -46.18 134.59 7.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 4.51 2.16 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.9 m -118.58 -67.76 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.0 p -87.88 -22.33 24.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 58.18 49.1 11.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -108.62 160.41 15.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -54.8 102.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.0 pt -125.89 -26.39 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -133.78 128.95 35.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -93.03 120.73 33.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.3 tttp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 m -107.98 88.63 2.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m -140.19 127.56 21.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.798 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.41 101.17 0.27 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.439 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -106.76 104.2 13.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.941 0.4 . . . . 0.0 110.83 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.7 p -95.28 159.86 14.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.44 89.92 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.504 ' O ' HG23 ' A' ' 8' ' ' THR . 9.9 t -68.05 118.22 10.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 111.125 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.7 -52.16 0.72 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 pp -115.63 160.86 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.8 mtm-85 -103.47 140.94 21.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 135.05 29.52 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.4 t -94.96 131.94 40.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 45.97 76.4 0.13 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 88.1 m -85.12 131.62 34.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.815 0.341 . . . . 0.0 111.115 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.749 ' HB ' HG11 ' A' ' 43' ' ' VAL . 25.4 m -69.15 153.19 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.4 m -146.65 123.38 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 46.0 t -99.11 109.88 55.85 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 18' ' ' CYS . 54.0 Cg_endo -69.74 -12.49 33.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 mm -75.01 -59.51 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.5 p -90.18 -31.24 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.9 mtm 58.7 51.04 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.428 ' HB3' ' CB ' ' A' ' 27' ' ' GLU . 1.3 m-20 -111.25 -60.91 1.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.22 144.88 6.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.449 ' CD2' HG13 ' A' ' 35' ' ' ILE . 47.8 t80 -39.12 -57.29 1.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 110.923 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.521 ' O ' HG22 ' A' ' 29' ' ' VAL . 66.9 p -47.88 -48.32 31.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' GLN . 5.5 mp0 -65.41 -60.58 2.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.649 HG21 HD13 ' A' ' 35' ' ' ILE . 20.1 mt -37.11 -54.86 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 26' ' ' SER . 33.1 m -63.23 -32.69 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' GLU . 11.1 tt0 -67.49 -49.64 62.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -59.03 -58.46 8.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.97 48.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -135.67 161.16 36.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mt -100.54 152.36 20.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.649 HD13 HG21 ' A' ' 28' ' ' ILE . 35.2 mm -94.86 117.29 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.448 HG22 ' C ' ' A' ' 45' ' ' CYS . 21.7 m -111.54 160.72 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.1 t -133.43 139.95 47.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.4 p -98.07 147.36 24.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.81 -30.21 66.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.2 p -52.9 -28.33 22.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.29 40.15 0.76 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.667 ' NE2' HG21 ' A' ' 61' ' ' THR . 31.6 m80 -140.13 176.66 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.749 HG11 ' HB ' ' A' ' 16' ' ' VAL . 57.4 t -134.33 143.11 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.491 ' CD2' HD13 ' A' ' 49' ' ' LEU . 29.9 m-85 -158.06 178.78 9.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.448 ' C ' HG22 ' A' ' 36' ' ' VAL . 33.9 m -98.31 179.84 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.2 t -70.55 -47.18 61.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -78.9 -56.38 4.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.1 m -43.94 -66.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.491 HD13 ' CD2' ' A' ' 44' ' ' PHE . 11.9 tp -43.04 -61.86 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.93 -53.0 17.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -45.24 -32.58 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.0 m -83.49 -44.43 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.4 mt -54.08 -38.39 65.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -85.19 27.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -122.32 -65.24 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 57' ' ' ASN . . . -121.62 28.9 7.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.086 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 58' ' ' THR . 1.3 t30 35.29 43.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 57' ' ' ASN . 27.2 p -158.4 176.08 12.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 46.4 t -70.8 134.68 85.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 7.35 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.704 2.269 . . . . 0.0 112.402 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.667 HG21 ' NE2' ' A' ' 42' ' ' HIS . 98.2 m -124.01 -63.79 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 p -93.25 -18.76 22.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? 60.73 49.08 6.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.75 ' O ' HG23 ' A' ' 66' ' ' ILE . 66.9 tttt -114.31 145.29 41.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -46.96 106.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.75 HG23 ' O ' ' A' ' 64' ' ' LYS . 44.4 pt -126.62 -31.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.477 ' OD1' ' ND2' ' A' ' 57' ' ' ASN . 2.6 p30 -99.13 98.59 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -84.19 47.98 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.5 m -86.46 130.48 34.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.9 m -137.9 150.67 47.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.45 177.97 53.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -123.93 133.13 53.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -139.56 119.63 13.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.51 62.89 0.41 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.9 p -130.72 160.49 34.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 111.147 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.482 ' C ' HD12 ' A' ' 10' ' ' LEU . . . -95.16 -138.37 9.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.482 HD12 ' C ' ' A' ' 9' ' ' GLY . 6.1 mp -138.36 106.53 5.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.498 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 14.7 mtm-85 -59.25 -60.24 11.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.655 0.741 . . . . 0.0 110.916 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 53.8 Cg_endo -69.78 174.98 8.72 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.707 2.272 . . . . 0.0 112.36 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.1 m -108.32 125.16 51.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.09 149.47 6.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.1 p -140.91 129.27 22.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.796 0.332 . . . . 0.0 111.138 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.679 HG11 HG21 ' A' ' 35' ' ' ILE . 12.6 m -89.39 132.6 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.3 m -131.47 107.02 8.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 t -96.85 119.64 63.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -22.26 32.45 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.633 2.222 . . . . 0.0 112.375 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.0 mm -63.77 -63.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 p -89.03 -23.14 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 42.7 mtm 58.14 47.01 15.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -127.78 158.42 37.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.47 -164.34 1.19 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.443 ' HB2' ' CG2' ' A' ' 16' ' ' VAL . 11.9 t80 -87.28 -61.56 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.874 0.368 . . . . 0.0 110.941 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.3 p -41.48 -40.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -63.99 -52.54 59.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.534 HG21 ' CD1' ' A' ' 35' ' ' ILE . 58.7 mt -50.85 -46.1 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -76.86 -5.88 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -72.45 -61.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -61.1 -46.85 88.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 133.7 62.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 86.9 mtm-85 -131.46 160.53 34.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tp -104.24 142.93 33.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.679 HG21 HG11 ' A' ' 16' ' ' VAL . 39.8 mm -85.45 109.74 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 36.0 m -104.71 158.21 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 m -133.92 137.95 45.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.1 p -95.4 161.45 14.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.164 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -72.67 -44.72 61.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.0 p -40.07 -37.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.47 35.87 0.77 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.488 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -130.75 171.09 13.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.506 HG11 ' HB ' ' A' ' 16' ' ' VAL . 82.7 t -120.66 149.37 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.507 ' CD2' HD13 ' A' ' 49' ' ' LEU . 80.1 m-85 -154.1 -179.71 8.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 25.0 m -111.16 158.76 18.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 t -48.26 -53.17 18.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 48' ' ' CYS . 7.1 mm100 -72.09 -60.66 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 47' ' ' GLN . 83.3 m -37.09 -70.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.507 HD13 ' CD2' ' A' ' 44' ' ' PHE . 17.9 tp -49.12 -64.21 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' LEU . 57.9 mtt-85 -34.52 -43.44 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -64.3 -45.74 86.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 49' ' ' LEU . 47.0 t -67.65 -47.84 68.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.6 tp -44.71 -54.48 6.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -62.38 -37.2 84.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 2.4 m120 -58.94 -47.39 85.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.54 154.51 28.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -84.13 40.13 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.3 p -146.46 159.52 43.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.1 t -71.7 134.51 83.91 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.717 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 4.15 2.38 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.0 m -117.31 -69.4 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.6 p -86.82 -25.27 24.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 63.43 43.58 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 66' ' ' ILE . 19.7 ttmt -93.77 151.11 19.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 65' ' ' LYS . 2.9 tmtt? -51.36 87.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 64' ' ' LYS . 6.3 pt -116.59 140.37 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -164.66 156.78 16.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -129.27 128.01 42.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -138.15 144.34 40.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -90.22 116.33 28.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.08 -81.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t 52.72 41.38 31.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.923 0.392 . . . . 0.0 110.856 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -54.58 116.65 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.64 163.48 28.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 8' ' ' THR . 14.8 t -82.14 40.98 0.65 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.817 0.342 . . . . 0.0 111.138 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.01 100.9 1.01 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tp -60.67 101.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -63.18 140.42 97.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -9.76 26.91 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.4 m -154.17 115.36 4.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 155.98 -64.94 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.4 p -90.33 173.32 8.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 111.124 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 m -81.98 171.35 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.5 p -174.65 117.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.7 t -87.21 119.86 71.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -20.01 35.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.244 . . . . 0.0 112.323 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.6 mm -69.11 -69.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 p -81.15 -30.96 34.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.6 mtm 57.55 49.32 12.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.2 -74.14 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.79 154.12 6.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.453 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.509 ' CZ ' HG13 ' A' ' 35' ' ' ILE . 5.3 t80 -40.99 -68.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.925 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.407 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 40.0 t -48.5 -59.77 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.58 -33.46 1.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 25' ' ' TYR . 18.0 mt -76.04 -42.61 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' A' ' 26' ' ' SER . 15.6 m -89.81 20.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.095 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -105.36 71.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 64.66 37.17 7.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.38 -95.86 0.54 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.414 ' HG2' ' CB ' ' A' ' 47' ' ' GLN . 1.2 mpt_? -122.87 -175.68 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.379 . . . . 0.0 110.852 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.826 HD23 ' H ' ' A' ' 35' ' ' ILE . 1.2 tt -109.04 166.31 10.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.826 ' H ' HD23 ' A' ' 34' ' ' LEU . 14.6 mm -91.33 111.38 23.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.4 m -114.67 165.86 9.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.5 p -133.37 167.79 19.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.8 p -122.0 170.28 9.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -84.65 -19.99 32.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.0 p -67.82 -25.36 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.7 36.33 2.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -132.78 174.39 10.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.473 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 56.2 t -124.45 149.59 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.473 ' CG ' ' O ' ' A' ' 43' ' ' VAL . 90.2 m-85 -159.58 179.08 9.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.4 m -100.51 165.82 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -55.86 -58.84 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 48' ' ' CYS . 4.4 tp60 -69.61 -60.4 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 47' ' ' GLN . 83.3 m -35.59 -66.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 tp -43.65 -58.09 2.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' A' ' 50' ' ' ARG . 8.7 mtp-105 -50.81 -45.01 59.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.78 -29.14 62.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 t -81.56 -39.43 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 53' ' ' LEU . 2.7 mm? -66.51 -42.33 87.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -51.58 -46.93 63.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -81.81 -67.53 0.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.64 133.36 48.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.614 ' O ' HG23 ' A' ' 58' ' ' THR . 9.2 p30 -85.53 48.24 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 57' ' ' ASN . 22.2 p -161.73 171.82 17.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 35.2 t -73.19 130.59 84.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.665 0.745 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.01 2.44 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.6 m -113.84 -63.48 1.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -91.25 -26.35 19.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 64.4 49.94 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 65' ' ' LYS . 26.7 tttp -111.39 169.26 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.472 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 3.3 tppp? -64.85 101.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.9 pt -119.21 129.07 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -132.46 79.79 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -57.47 159.88 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.4 pttp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.919 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 p -127.2 129.32 47.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.338 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 p -155.17 135.57 13.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.7 122.86 5.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -68.13 149.63 49.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 t -168.38 134.74 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.06 49.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 9' ' ' GLY . 28.7 m -118.79 156.82 28.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 111.159 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.452 ' N ' HG22 ' A' ' 8' ' ' THR . . . 141.07 94.59 0.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mp -124.67 102.99 7.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.779 0.323 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -144.03 150.04 47.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -0.58 7.15 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.64 2.227 . . . . 0.0 112.335 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -66.32 106.09 1.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.6 90.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 m -77.72 54.91 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 111.113 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.5 m -105.94 131.32 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.0 p -136.68 110.61 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.9 t -73.76 118.0 65.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.618 0.723 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -12.57 33.19 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.364 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.519 HD11 ' HG3' ' A' ' 60' ' ' PRO . 12.9 mm -80.66 -70.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.2 p -81.53 -34.36 31.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.4 mtm 60.74 47.99 7.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -108.31 -69.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.649 ' O ' HD12 ' A' ' 28' ' ' ILE . . . 144.02 166.7 11.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.719 ' O ' HG22 ' A' ' 29' ' ' VAL . 2.3 t80 -64.85 -50.91 64.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.37 . . . . 0.0 110.867 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.8 t -55.08 -41.06 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 28' ' ' ILE . 5.3 mm-40 -77.22 -64.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.649 HD12 ' O ' ' A' ' 24' ' ' GLY . 19.6 mt -33.07 -46.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 25' ' ' TYR . 33.3 m -75.3 -44.88 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.483 ' N ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -39.32 -48.43 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -67.84 -59.28 3.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 149.68 42.71 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.54 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.0 mmt-85 -120.73 142.83 49.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mp -88.46 153.84 20.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.516 HG13 ' CE2' ' A' ' 25' ' ' TYR . 49.6 mm -96.01 115.41 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.1 m -109.19 173.53 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.9 p -147.52 158.68 44.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.6 p -114.45 160.31 19.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -72.71 -33.82 66.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.3 p -50.68 -31.74 17.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.77 34.39 1.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.431 ' CE1' ' HB ' ' A' ' 61' ' ' THR . 21.9 m170 -130.4 165.82 21.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.1 t -118.79 144.62 26.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.448 ' CG ' HD13 ' A' ' 49' ' ' LEU . 90.2 m-85 -152.77 168.88 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.1 m -90.28 172.46 8.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.5 p -64.0 -47.98 78.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -78.43 -58.41 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 75.4 m -39.28 -72.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.476 ' O ' HD23 ' A' ' 53' ' ' LEU . 15.0 tp -43.83 -60.59 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -46.06 -33.31 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -68.1 -44.89 75.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.55 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 67.7 m -65.64 -24.17 66.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 49' ' ' LEU . 3.6 mm? -79.12 -47.04 16.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -80.84 -10.02 59.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -113.33 -61.82 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 52' ' ' SER . . . -81.3 179.47 7.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -99.94 -50.32 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' CYS . 18.1 p -128.1 170.23 13.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' THR . 26.7 t -37.7 131.27 0.88 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.721 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.519 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.8 Cg_endo -69.77 5.74 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.346 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.431 ' HB ' ' CE1' ' A' ' 42' ' ' HIS . 3.4 m -117.83 -67.52 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.0 p -86.97 -19.86 28.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 44.8 mmm-85 54.58 50.34 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' O ' HG23 ' A' ' 66' ' ' ILE . 72.9 tttt -116.76 160.49 20.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.411 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 9.0 mmtm -50.33 114.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 64' ' ' LYS . 29.7 pt -132.5 134.74 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -85.84 138.86 31.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -83.61 99.45 10.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -158.43 165.56 34.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.829 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 p -88.35 -47.68 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.79 -141.07 40.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.6 m -58.25 169.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -117.52 -71.67 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.97 56.41 3.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.449 ' O ' HG22 ' A' ' 8' ' ' THR . 16.1 m 50.57 50.61 18.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 0.0 111.117 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.25 84.02 0.3 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.8 mt -77.13 111.19 12.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -107.09 104.04 50.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.622 0.725 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 114.93 3.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 t -75.55 91.81 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.78 152.92 15.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.534 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.4 p -105.92 85.82 2.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 111.178 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.559 ' O ' HG23 ' A' ' 16' ' ' VAL . 34.2 m -113.86 116.19 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.5 p -126.65 109.7 12.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.5 t -99.73 123.46 47.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -25.92 27.98 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.359 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.8 mm -63.24 -65.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.9 p -83.82 -21.73 32.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.0 mtt 53.85 46.09 26.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -127.76 -177.31 4.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.27 -174.68 37.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.593 ' CZ ' HG11 ' A' ' 29' ' ' VAL . 88.1 t80 -66.81 -54.1 26.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.897 0.38 . . . . 0.0 110.894 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.437 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 26.3 t -50.17 -39.52 43.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.1 tm-20 -65.73 -42.33 91.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.3 mt -67.54 -48.04 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.593 HG11 ' CZ ' ' A' ' 25' ' ' TYR . 25.0 m -66.7 -44.19 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.455 ' N ' HG23 ' A' ' 29' ' ' VAL . 15.0 mm-40 -34.16 -59.74 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 27' ' ' GLU . 1.4 p30 -61.72 -41.01 97.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' VAL . . . 117.45 54.85 0.3 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.45 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -119.03 174.86 6.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mt -111.91 156.4 22.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.526 HG21 HG11 ' A' ' 16' ' ' VAL . 30.7 mm -100.3 113.69 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.165 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.8 m -110.42 156.08 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.6 m -128.74 133.82 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 p -86.86 143.18 27.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -64.48 -24.79 67.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.3 p -61.06 -24.58 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.07 41.42 1.08 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -142.58 165.14 28.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.0 t -116.61 140.06 40.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.522 ' CG ' HD13 ' A' ' 49' ' ' LEU . 97.6 m-85 -147.85 174.55 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.5 m -102.15 160.61 14.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.4 p -55.32 -47.85 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -74.01 -54.3 8.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 84.0 m -46.16 -67.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.522 HD13 ' CG ' ' A' ' 44' ' ' PHE . 12.7 tp -49.35 -58.18 5.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -42.78 -43.79 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -73.76 -37.83 64.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.5 t -59.49 -53.01 63.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 mp -43.86 -43.81 6.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.981 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -63.84 -53.32 52.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -67.22 -65.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.36 98.0 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -38.18 -46.46 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.2 p -90.19 172.61 8.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.6 t -54.2 134.37 60.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.459 ' HG2' ' CE1' ' A' ' 44' ' ' PHE . 54.2 Cg_endo -69.72 4.72 2.01 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.6 m -118.05 -71.34 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.7 p -88.05 -23.03 23.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 64.09 38.07 8.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -96.54 154.08 17.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -50.83 106.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.4 pt -128.02 158.3 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -158.22 105.49 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -100.83 107.72 19.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.9 tttp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 m -108.72 135.09 50.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.6 m -66.4 122.98 18.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.06 46.15 0.43 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 p -139.95 146.03 38.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.824 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.4 p -146.34 149.93 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.47 166.76 52.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.8 t -73.67 153.91 39.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.185 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.46 77.17 0.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.451 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.4 mt -49.47 151.96 1.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -151.84 133.52 8.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.581 0.705 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 115.14 3.95 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -76.13 55.57 0.95 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.75 97.26 1.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 t -61.8 142.92 57.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 111.108 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 15.5 m -109.0 166.4 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -169.26 106.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.0 t -92.51 118.93 68.23 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -16.27 37.48 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.703 2.268 . . . . 0.0 112.359 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.6 mm -75.2 -65.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.131 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 22' ' ' MET . 29.3 p -92.22 -30.72 15.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 21' ' ' CYS . 26.4 ptm 45.08 41.44 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.42 -68.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 148.64 129.85 1.86 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.77 ' O ' HG13 ' A' ' 29' ' ' VAL . 92.0 t80 -34.67 -43.09 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.733 ' O ' HG22 ' A' ' 29' ' ' VAL . 74.3 m -52.68 -57.35 10.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.849 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.26 -46.5 86.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.817 HG23 ' HG3' ' A' ' 33' ' ' ARG . 65.1 mt -54.97 -40.8 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.172 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.77 HG13 ' O ' ' A' ' 25' ' ' TYR . 16.0 m -76.64 -22.42 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 13.1 tm0? -71.61 68.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 12.4 p30 48.85 43.4 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.69 -73.09 0.56 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.817 ' HG3' HG23 ' A' ' 28' ' ' ILE . 9.5 ptt-85 -154.05 164.41 38.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.366 . . . . 0.0 110.85 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -91.04 158.62 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 35' ' ' ILE . 1.1 mp -88.1 109.12 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 44' ' ' PHE . 7.7 m -107.98 158.9 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 90.8 p -134.69 153.31 52.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.7 p -110.84 177.25 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -81.05 -34.9 32.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.8 p -51.03 -34.22 28.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.35 27.73 3.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.582 ' CE1' ' CG2' ' A' ' 61' ' ' THR . 13.1 m170 -115.45 177.05 4.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.839 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.6 t -124.71 139.78 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.507 ' CG ' HD13 ' A' ' 49' ' ' LEU . 58.4 m-85 -152.94 168.73 24.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.4 m -100.2 157.5 16.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 99.7 p -49.79 -48.7 50.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -69.52 -66.97 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 56.5 m -38.49 -70.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.507 HD13 ' CG ' ' A' ' 44' ' ' PHE . 14.9 tp -43.65 -62.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -45.93 -37.03 5.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.76 -32.97 66.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -71.18 -48.62 50.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.6 mp -45.3 -41.45 8.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 8.4 ptmm? -85.65 -42.31 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.464 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 3.1 t30 -64.74 -65.83 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.0 173.61 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -97.58 -33.89 11.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.427 ' HB ' ' C ' ' A' ' 63' ' ' ARG . 11.8 p -131.2 -176.03 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.448 ' HB3' ' N ' ' A' ' 63' ' ' ARG . 1.9 t -53.3 128.36 49.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.716 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 4.86 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.582 ' CG2' ' CE1' ' A' ' 42' ' ' HIS . 24.6 m -125.68 -50.43 1.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 64' ' ' LYS . 32.0 p -118.4 11.29 12.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.496 ' CD ' ' O ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER 31.7 37.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.858 ' O ' HG23 ' A' ' 66' ' ' ILE . 24.7 tttm -97.59 130.8 44.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.2 mmpt? -33.75 105.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.858 HG23 ' O ' ' A' ' 64' ' ' LYS . 38.8 pt -112.68 -40.59 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.483 ' N ' HG13 ' A' ' 66' ' ' ILE . 17.7 t-20 -80.44 -54.14 5.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 65.65 41.7 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 p -149.1 118.77 7.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.906 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.7 p -173.01 155.89 3.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.37 -131.3 49.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 t -172.46 111.7 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.368 . . . . 0.0 110.857 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -58.56 107.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.77 -151.33 8.04 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.5 p -154.09 166.37 33.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 111.157 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.84 83.7 0.76 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -85.44 156.32 20.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.21 140.54 1.08 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.6 0.714 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -42.08 3.74 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 t 64.85 36.35 7.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.42 76.71 0.26 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.8 t -111.08 135.97 50.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.158 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.1 m -85.58 169.65 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.6 m -158.26 124.85 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.4 t -104.04 118.14 57.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.732 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 -17.97 36.96 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.335 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.5 mm -66.86 -71.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.9 p -82.49 -31.54 29.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.1 mtm 61.11 49.68 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 23' ' ' ASP . 0.6 OUTLIER -100.57 -68.4 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.76 142.98 5.1 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.777 ' O ' HG22 ' A' ' 29' ' ' VAL . 34.1 t80 -40.58 -59.53 1.34 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.885 0.374 . . . . 0.0 110.933 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -46.69 -31.53 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 30' ' ' GLN . 12.1 tt0 -86.0 -63.35 1.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.405 HD11 ' OD1' ' A' ' 23' ' ' ASP . 14.0 mt -44.86 -41.21 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.777 HG22 ' O ' ' A' ' 25' ' ' TYR . 15.4 m -76.47 -23.41 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 27' ' ' GLU . 32.3 tt0 -78.71 70.41 5.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 m120 58.25 41.91 22.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -115.08 -86.82 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.9 mtm-85 -144.29 -175.32 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.332 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tp -101.83 141.59 34.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 35' ' ' ILE . 1.4 mp -77.89 108.7 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 44' ' ' PHE . 16.9 m -105.88 162.78 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.2 p -131.07 157.66 42.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.5 p -121.27 149.2 43.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' CYS . 4.2 pt-20 -52.22 -54.55 29.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' GLU . 21.1 p -35.03 -43.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.46 25.44 1.61 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -114.0 170.9 7.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.492 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 56.7 t -120.07 149.19 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.492 ' CG ' ' O ' ' A' ' 43' ' ' VAL . 56.7 m-85 -159.96 178.11 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.4 m -103.78 157.04 17.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -47.34 -63.35 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -60.2 -58.35 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 84.6 m -42.97 -64.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' SER . 15.5 tp -56.49 -57.64 11.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -45.29 -35.61 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -81.57 -25.61 35.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' LEU . 6.3 t -75.77 -40.04 55.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.436 ' CD1' ' HG ' ' A' ' 49' ' ' LEU . 7.2 mp -51.86 -52.85 46.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -73.69 -51.34 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -52.76 -62.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.13 163.18 13.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -80.33 -40.22 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.424 ' HB ' ' C ' ' A' ' 63' ' ' ARG . 7.8 p -134.54 176.51 8.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.173 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' THR . 10.6 t -37.64 133.61 0.81 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 8.35 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.73 2.286 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.4 m -124.44 -75.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.2 p -84.89 -14.93 46.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.424 ' C ' ' HB ' ' A' ' 58' ' ' THR . 26.0 mtm-85 58.33 52.37 7.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.662 ' O ' HG23 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -95.31 152.09 18.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -50.14 94.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 64' ' ' LYS . 32.4 pt -125.26 145.53 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -163.49 -178.61 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.433 ' CG ' ' N ' ' A' ' 69' ' ' LYS . 54.4 t60 -161.09 160.0 29.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.433 ' N ' ' CG ' ' A' ' 68' ' ' HIS . 18.3 tptm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.1 m -144.36 157.22 44.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 t -128.83 165.58 20.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.06 159.33 13.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -73.16 153.81 40.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.383 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 t -68.11 148.65 50.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.2 -178.69 0.38 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 9' ' ' GLY . 7.5 m -121.49 159.6 25.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 111.126 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' N ' HG22 ' A' ' 8' ' ' THR . . . -97.13 -55.35 1.2 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.9 mt -81.34 139.76 35.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 110.918 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -47.53 145.09 4.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.597 0.713 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 106.28 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.3 t -92.47 140.39 29.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.815 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.56 96.09 1.84 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 m -83.2 49.6 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 111.147 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.3 m -114.46 163.75 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 t -159.25 129.7 5.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 22' ' ' MET . 43.2 t -95.6 121.24 62.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.673 0.749 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -14.85 36.79 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.413 HG21 ' HB3' ' A' ' 48' ' ' CYS . 28.6 mm -77.15 -56.7 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.8 p -95.15 -25.2 16.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' CYS . 67.9 mtt 62.87 49.49 3.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.2 161.6 29.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.0 -166.67 1.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.645 ' O ' HG22 ' A' ' 29' ' ' VAL . 1.8 t80 -90.81 -41.89 10.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -56.96 -43.23 81.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.73 -52.93 62.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.7 mt -49.78 -62.2 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 25' ' ' TYR . 13.3 m -57.33 -33.09 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -62.48 -57.92 9.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -50.17 -45.72 53.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 129.85 44.26 0.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -125.66 154.3 42.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 35' ' ' ILE . 0.4 OUTLIER -97.2 139.9 32.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.694 ' N ' HD13 ' A' ' 34' ' ' LEU . 35.8 mm -79.13 106.8 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.3 m -106.45 170.62 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.6 t -151.8 153.29 33.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.9 p -107.13 167.73 9.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 40' ' ' CYS . 13.8 pt-20 -69.52 -51.16 38.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' GLU . 14.3 p -36.81 -40.66 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.73 42.55 0.45 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.592 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 8.6 m80 -133.71 138.81 46.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.361 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.4 t -92.66 136.9 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 42' ' ' HIS . 92.1 m-85 -143.03 168.09 20.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 39.2 m -94.55 163.96 13.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.7 p -51.96 -57.28 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 48' ' ' CYS . 5.6 tt0 -69.87 -62.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 47' ' ' GLN . 74.6 m -34.48 -68.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.479 HD13 ' CG ' ' A' ' 44' ' ' PHE . 18.6 tp -50.28 -63.24 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.9 mtt-85 -38.94 -44.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.91 -44.92 94.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 42.1 t -62.35 -34.11 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 53' ' ' LEU . 1.3 mm? -69.23 -43.15 74.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -65.7 -59.41 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -73.78 -63.61 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 52' ' ' SER . . . -82.64 -177.25 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -124.14 -60.69 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' CYS . 64.2 p -87.23 159.05 18.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.179 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 58' ' ' THR . 16.7 t -35.59 130.29 0.56 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.718 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.422 ' HG2' ' CE1' ' A' ' 44' ' ' PHE . 53.0 Cg_endo -69.79 6.32 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.631 2.221 . . . . 0.0 112.34 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.3 m -120.25 -60.6 1.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.9 p -95.38 -21.2 18.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.411 ' C ' ' HB ' ' A' ' 58' ' ' THR . 8.7 mtp180 59.79 40.9 18.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.601 ' O ' HG23 ' A' ' 66' ' ' ILE . 1.4 tmtp? -98.25 148.24 23.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.467 ' N ' ' HD3' ' A' ' 64' ' ' LYS . 18.3 tptt -47.06 99.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.601 HG23 ' O ' ' A' ' 64' ' ' LYS . 26.5 pt -112.3 -29.81 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -69.28 144.45 53.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.423 ' CE1' ' HB2' ' A' ' 69' ' ' LYS . 2.9 p80 -103.54 -38.09 7.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.434 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -144.5 167.69 21.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 t -152.67 156.19 38.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.85 -160.24 29.22 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.5 m -106.65 159.39 16.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 t -149.1 130.27 14.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.51 76.54 1.31 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.4 p -153.79 173.79 15.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 111.116 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.31 -69.5 1.54 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 10' ' ' LEU . 4.5 pp -52.7 140.67 22.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.943 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -137.04 148.23 61.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.722 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 152.28 68.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.308 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 t -116.01 45.88 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.802 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.84 61.08 0.46 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.2 p -77.55 114.26 16.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 111.122 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.409 ' CG2' ' HB2' ' A' ' 25' ' ' TYR . 12.6 m -103.67 147.7 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.8 m -146.23 113.2 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.7 t -95.51 119.37 65.37 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.671 0.748 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -20.02 35.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.254 . . . . 0.0 112.364 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -68.43 -62.94 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.4 p -88.96 -19.91 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.9 mtm 57.48 43.98 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -113.88 -179.63 3.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.82 -175.45 33.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.475 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.666 ' O ' HG13 ' A' ' 29' ' ' VAL . 35.7 t80 -77.66 -42.58 34.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.913 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -64.89 -29.12 70.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.817 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -75.52 -56.45 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 33' ' ' ARG . 38.1 mt -52.78 -43.21 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.666 HG13 ' O ' ' A' ' 25' ' ' TYR . 5.9 m -74.05 -27.9 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -68.27 70.42 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 m120 51.26 48.85 22.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -123.02 -83.83 0.65 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HD2' ' CB ' ' A' ' 47' ' ' GLN . 12.7 mmp_? -138.95 168.98 18.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.823 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 mp -94.35 133.34 38.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.8 mm -69.57 117.46 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 m -117.2 153.38 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.0 p -121.24 150.58 41.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.4 p -113.94 159.58 19.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -74.35 -45.15 48.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.413 ' HB3' ' CG2' ' A' ' 66' ' ' ILE . 24.5 p -39.28 -38.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.8 42.33 0.45 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.477 ' CE1' ' HB ' ' A' ' 61' ' ' THR . 23.2 m170 -139.7 -175.14 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.8 t -135.74 143.34 36.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.437 ' CE1' ' HG2' ' A' ' 60' ' ' PRO . 89.6 m-85 -153.84 -179.25 7.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 5.0 m -106.2 153.23 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.4 t -38.48 -71.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.459 ' CB ' ' HD2' ' A' ' 33' ' ' ARG . 5.5 tp-100 -56.6 -66.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 47' ' ' GLN . 82.3 m -33.08 -63.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 53' ' ' LEU . 14.1 tp -52.45 -59.18 4.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -44.79 -40.75 6.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.7 -42.47 97.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.404 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 47.1 t -70.38 -28.8 65.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 49' ' ' LEU . 3.7 mm? -77.89 -40.9 38.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 7.4 ptmt -71.89 -41.52 67.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -71.94 -38.05 69.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.458 ' N ' ' OD1' ' A' ' 55' ' ' ASN . . . -148.38 170.41 18.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.525 ' O ' HG23 ' A' ' 58' ' ' THR . 43.2 t30 -110.96 52.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 57' ' ' ASN . 24.0 p -159.25 167.42 29.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.0 t -84.23 135.05 42.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.437 ' HG2' ' CE1' ' A' ' 44' ' ' PHE . 53.6 Cg_endo -69.75 7.59 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.477 ' HB ' ' CE1' ' A' ' 42' ' ' HIS . 11.2 m -122.5 -71.52 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.2 p -79.03 -20.72 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 60.35 42.22 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -95.05 168.81 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.61 55.41 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.413 ' CG2' ' HB3' ' A' ' 40' ' ' CYS . 18.4 pt -65.31 132.82 31.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -170.64 112.87 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -69.6 89.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 69' ' ' LYS . 12.5 tmtt? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -63.63 97.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.91 0.386 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 t 63.91 42.28 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.82 150.85 38.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.1 p -132.66 93.31 3.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -135.41 174.58 10.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.99 -150.34 11.95 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 t -134.29 156.78 47.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 111.155 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.74 145.0 6.86 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.0 tp -129.61 125.45 36.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -150.2 133.22 8.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.672 0.749 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 142.07 47.12 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 p -173.65 179.78 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.526 ' O ' ' C ' ' A' ' 15' ' ' THR . . . -45.06 -24.72 0.86 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.747 ' O ' HG23 ' A' ' 15' ' ' THR . 7.1 t 26.53 52.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 111.134 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.586 HG22 ' HB2' ' A' ' 25' ' ' TYR . 26.0 m -93.96 165.7 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.52 125.56 4.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 22' ' ' MET . 47.2 t -100.58 120.52 55.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -8.6 24.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.5 mm -85.63 -54.11 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.147 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.455 ' SG ' ' CG ' ' A' ' 23' ' ' ASP . 7.7 p -99.72 -25.96 14.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' CYS . 52.6 mmm 67.06 55.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.565 ' OD1' HD11 ' A' ' 28' ' ' ILE . 26.2 p30 -128.16 161.9 28.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' O ' HD12 ' A' ' 28' ' ' ILE . . . -68.98 -128.3 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.753 ' O ' HG22 ' A' ' 29' ' ' VAL . 34.2 t80 -117.41 -43.75 2.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.924 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.3 t -61.5 -49.49 76.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -50.58 -55.97 13.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.565 HD11 ' OD1' ' A' ' 23' ' ' ASP . 62.9 mt -51.86 -53.49 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 25' ' ' TYR . 29.4 m -79.73 10.63 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.164 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -80.82 55.81 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.2 t30 57.55 44.27 21.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.31 -57.02 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -145.76 165.9 27.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 tp -102.97 160.97 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.2 mm -89.7 112.78 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 44' ' ' PHE . 21.1 m -114.35 170.52 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.9 p -133.04 177.27 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.2 p -137.64 155.59 48.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 40' ' ' CYS . 19.9 tt0 -58.28 -53.2 61.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' GLU . 14.8 p -36.65 -42.56 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.19 29.65 1.44 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -118.02 174.87 5.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.794 0.33 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.3 t -118.49 142.4 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.468 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 96.8 m-85 -153.76 165.09 37.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.9 m -92.37 162.02 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 t -49.39 -65.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 48' ' ' CYS . 5.3 tp60 -61.75 -64.83 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 47' ' ' GLN . 69.5 m -33.81 -65.48 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.4 tp -50.15 -63.25 1.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -43.2 -36.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -67.57 -42.85 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 3.7 t -66.19 -24.57 66.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 53' ' ' LEU . 1.1 mm? -78.44 -47.08 18.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -22.31 60.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -101.91 -68.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 52' ' ' SER . . . -76.49 169.77 17.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.069 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -96.59 -41.48 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 p -128.21 173.6 9.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.48 ' N ' HD11 ' A' ' 66' ' ' ILE . 37.0 t -42.33 132.99 2.69 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 3.4 2.8 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.8 m -114.72 -68.73 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.3 p -84.24 -31.74 24.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 70.67 43.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 65' ' ' LYS . 21.5 tttm -102.65 154.02 19.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.422 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 3.3 mmmm -50.5 108.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.48 HD11 ' N ' ' A' ' 59' ' ' CYS . 9.0 pt -134.23 122.27 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -175.18 151.6 1.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -130.17 32.29 4.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -94.76 115.82 27.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -149.98 148.4 29.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.06 66.67 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 m -151.46 151.38 31.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -100.36 177.41 5.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.82 92.62 1.61 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.8 m -103.6 95.31 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 111.159 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.95 -64.77 4.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.2 mt -63.22 102.2 0.37 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.747 0.308 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.3 mmt-85 -87.46 124.25 68.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 104.58 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.677 2.252 . . . . 0.0 112.347 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 56.2 p -98.33 145.21 26.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.02 47.87 0.23 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.6 p -145.22 138.09 26.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 111.167 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.6 m -77.61 147.23 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.4 p -142.36 113.68 7.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.7 t -101.9 122.75 46.18 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -23.43 30.76 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.7 mm -66.18 -64.99 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.8 p -83.64 -24.72 31.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 23.3 mtt 56.23 43.61 26.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -127.4 171.02 11.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.25 -168.32 18.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.697 ' CZ ' HG11 ' A' ' 29' ' ' VAL . 30.0 t80 -84.11 -49.54 8.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.921 0.391 . . . . 0.0 110.967 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -48.45 -45.36 36.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.5 -56.4 22.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.9 mt -49.15 -50.79 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.697 HG11 ' CZ ' ' A' ' 25' ' ' TYR . 24.2 m -70.1 -25.03 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -68.13 -61.89 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -48.8 -42.25 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.16 44.53 0.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 47' ' ' GLN . 11.5 mmt180 -122.07 171.73 8.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.926 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.9 mt -120.06 152.47 37.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.1 mm -91.56 122.3 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.1 m -120.25 167.51 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.7 p -138.15 147.84 44.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.4 p -103.98 172.8 6.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 40' ' ' CYS . 5.9 mm-40 -74.33 -54.66 7.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' GLU . 15.6 p -35.11 -42.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.77 39.38 0.53 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.46 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.507 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 10.1 m80 -127.4 155.9 42.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.2 t -107.58 138.13 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.625 ' CG ' HD13 ' A' ' 49' ' ' LEU . 90.7 m-85 -148.29 176.16 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 55.1 m -99.8 171.93 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.7 t -64.6 -52.4 57.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 33' ' ' ARG . 8.4 tt0 -71.97 -51.61 21.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.4 m -46.28 -68.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.625 HD13 ' CG ' ' A' ' 44' ' ' PHE . 12.1 tp -54.66 -48.05 72.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -49.34 -40.75 36.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -75.31 -34.78 61.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 m -65.06 -42.65 94.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 49' ' ' LEU . 9.6 mp -48.92 -52.41 24.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -73.86 -46.19 46.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.461 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 53.5 t30 -54.45 -69.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.34 -176.85 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -100.84 -44.06 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 59' ' ' CYS . 14.7 p -121.9 171.7 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 58' ' ' THR . 5.9 t -34.54 130.99 0.44 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 7.5 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.7 m -121.13 -66.38 1.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.3 p -90.88 -19.19 23.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 59.44 51.24 6.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.62 ' O ' HG23 ' A' ' 66' ' ' ILE . 14.5 ttmm -112.07 147.89 35.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -42.47 110.56 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.62 HG23 ' O ' ' A' ' 64' ' ' LYS . 22.0 pt -130.8 134.73 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -130.37 123.49 30.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -45.42 -58.77 3.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -68.3 -55.55 11.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.907 0.384 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t 53.26 42.21 32.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.01 -81.67 0.48 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t 45.63 42.3 8.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.927 0.394 . . . . 0.0 110.841 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -70.83 121.04 17.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.86 172.7 17.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 9' ' ' GLY . 24.7 m -108.11 113.59 26.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 8' ' ' THR . . . -36.32 148.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.7 mt -45.84 167.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -118.8 144.0 34.75 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 131.01 20.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.9 p -70.9 171.44 10.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.12 83.18 1.17 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.5 t -142.54 150.41 40.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.783 0.325 . . . . 0.0 111.142 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.39 158.54 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.102 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.2 t -158.95 129.44 5.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.6 t -74.72 118.72 72.42 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.732 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -13.37 34.48 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.309 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.475 HG21 ' HB3' ' A' ' 48' ' ' CYS . 12.2 mm -77.36 -67.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 p -83.9 -26.97 28.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 62.7 mtm 59.31 53.68 5.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.18 -64.59 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.52 146.65 5.23 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.593 ' HA ' HD12 ' A' ' 28' ' ' ILE . 1.2 t80 -42.95 -54.01 4.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.914 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -60.24 -46.46 89.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -63.02 -23.58 67.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.765 HG23 ' HB2' ' A' ' 33' ' ' ARG . 17.5 mt -80.67 -67.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.493 HG11 ' HE1' ' A' ' 25' ' ' TYR . 27.8 m -45.51 -30.85 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -76.19 -58.48 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -45.81 -75.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.78 39.81 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.765 ' HB2' HG23 ' A' ' 28' ' ' ILE . 18.5 mmt85 -131.48 148.56 52.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tp -91.5 157.82 16.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.447 HG13 ' CZ ' ' A' ' 25' ' ' TYR . 40.0 mm -97.46 118.64 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 45' ' ' CYS . 7.0 m -121.46 166.52 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.8 p -136.22 160.14 39.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.2 p -115.63 176.26 5.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.778 ' OE2' HG22 ' A' ' 66' ' ' ILE . 2.8 pp20? -81.75 -48.31 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' GLU . 18.3 p -36.39 -41.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.04 33.53 0.68 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -130.07 172.69 11.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.1 t -126.18 142.93 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.503 ' CD1' HD13 ' A' ' 49' ' ' LEU . 38.8 m-85 -149.52 169.46 20.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.474 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 29.8 m -86.01 -176.87 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -69.36 -61.46 1.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 48' ' ' CYS . 19.2 mm-40 -67.96 -56.98 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.475 ' HB3' HG21 ' A' ' 20' ' ' ILE . 59.7 m -37.12 -65.84 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.503 HD13 ' CD1' ' A' ' 44' ' ' PHE . 17.1 tp -51.87 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -40.11 -31.75 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -75.59 -39.61 57.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' LEU . 66.8 m -67.73 -22.93 65.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 53' ' ' LEU . 1.8 mm? -70.44 -46.02 64.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -83.45 -33.95 25.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -72.26 -55.59 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.05 167.09 10.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -91.26 -47.86 7.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' CYS . 39.5 p -109.58 167.73 9.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' THR . 46.0 t -37.51 134.9 0.75 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 4.68 2.05 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.229 . . . . 0.0 112.391 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.6 m -120.78 -72.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.2 p -80.21 -24.82 39.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' C ' ' HB ' ' A' ' 58' ' ' THR . 22.2 mtt85 62.66 42.75 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.52 ' O ' HG23 ' A' ' 66' ' ' ILE . 37.1 ttmt -103.95 145.87 29.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.35 105.3 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.778 HG22 ' OE2' ' A' ' 39' ' ' GLU . 9.1 pt -122.21 -21.38 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -70.29 141.32 52.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -146.75 150.54 35.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 t -116.5 144.09 44.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 p -113.09 42.43 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.67 139.28 10.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -124.7 112.71 17.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 m -103.85 122.05 44.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.87 -118.37 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.9 p -70.18 165.85 21.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.349 . . . . 0.0 111.156 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.46 130.71 10.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.04 117.13 29.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -95.86 156.15 37.58 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.565 0.698 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 165.19 31.83 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.353 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.4 p -59.42 141.89 53.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.18 -40.16 0.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' VAL . 74.9 p -57.7 164.58 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 111.146 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.896 ' HB ' HG11 ' A' ' 43' ' ' VAL . 28.6 m -35.77 146.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.6 m -146.1 105.66 3.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 22' ' ' MET . 35.2 t -94.08 115.65 65.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.73 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -15.25 37.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.728 2.286 . . . . 0.0 112.345 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.7 mm -74.72 -60.66 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' SG ' ' CG ' ' A' ' 23' ' ' ASP . 29.4 p -102.56 -26.87 13.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' CYS . 19.0 ptt? 44.35 39.57 3.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 23' ' ' ASP . 1.1 p30 -71.3 -66.13 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 25' ' ' TYR . . . 146.73 129.66 2.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.715 ' HB2' HG22 ' A' ' 16' ' ' VAL . 19.3 t80 -32.17 -53.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.918 0.39 . . . . 0.0 110.944 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.587 ' O ' HG22 ' A' ' 29' ' ' VAL . 34.2 p -60.36 -55.59 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -48.07 -62.69 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.669 HG23 ' HB2' ' A' ' 33' ' ' ARG . 19.7 mt -43.92 -63.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 26' ' ' SER . 14.6 m -55.87 -28.35 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 35.5 tt0 -72.78 68.83 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 1.0 OUTLIER 48.78 40.96 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 33' ' ' ARG . . . -115.02 -59.05 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.669 ' HB2' HG23 ' A' ' 28' ' ' ILE . 76.5 mtt85 -162.06 177.5 9.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.632 HD23 ' N ' ' A' ' 35' ' ' ILE . 4.8 tt -96.76 148.4 22.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.632 ' N ' HD23 ' A' ' 34' ' ' LEU . 48.7 mm -93.48 116.74 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.06 162.67 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 p -131.57 143.61 50.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.5 p -112.36 168.83 9.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 40' ' ' CYS . 14.9 pt-20 -77.16 -49.24 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 39' ' ' GLU . 31.8 p -38.06 -41.6 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.54 38.98 0.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -134.09 160.03 39.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.846 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.896 HG11 ' HB ' ' A' ' 16' ' ' VAL . 98.0 t -113.11 143.07 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -149.16 -174.96 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.1 m -116.16 148.49 40.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -38.12 -53.82 1.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -65.97 -59.63 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.5 m -43.63 -68.29 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.5 tp -49.5 -54.86 15.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -47.48 -41.49 20.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.04 -38.73 72.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -67.87 -36.41 80.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 tp -50.35 -48.06 55.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -78.95 -44.37 22.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -60.82 -66.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.69 111.8 23.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -43.58 -44.82 6.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.483 HG22 ' HA ' ' A' ' 65' ' ' LYS . 14.8 p -96.88 177.0 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.7 t -55.22 134.55 68.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.708 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 2.98 3.02 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.9 m -115.68 -69.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.165 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.5 p -81.93 -29.26 32.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.3 mtm-85 67.83 45.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.962 ' O ' HG23 ' A' ' 66' ' ' ILE . 37.1 ttmt -115.88 138.19 51.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.483 ' HA ' HG22 ' A' ' 58' ' ' THR . 10.8 ttmt -36.84 105.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.962 HG23 ' O ' ' A' ' 64' ' ' LYS . 21.2 pt -126.0 -30.84 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.454 ' N ' HG13 ' A' ' 66' ' ' ILE . 64.0 t30 -91.14 125.39 35.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -89.08 101.97 14.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 t -110.14 121.7 45.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.791 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 t -119.89 143.09 48.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.52 -94.3 0.48 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 m -139.74 128.36 23.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.858 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 m -119.64 149.66 41.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.22 174.75 21.56 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.5 133.48 20.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.331 . . . . 0.0 111.185 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' LEU . . . 172.64 -77.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' GLY . 80.4 mt -34.28 146.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -81.1 131.82 58.35 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.628 0.728 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 13' ' ' SER . 53.5 Cg_endo -69.76 123.26 9.93 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.673 2.248 . . . . 0.0 112.331 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 12' ' ' PRO . 3.4 t -34.74 141.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.86 130.02 33.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 m -127.18 141.71 51.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 111.15 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.724 HG22 ' HB2' ' A' ' 25' ' ' TYR . 35.1 m -57.76 146.49 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.9 p -139.35 109.99 6.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.7 t -95.8 120.69 62.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -21.05 34.02 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.325 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.433 HG21 ' HB3' ' A' ' 48' ' ' CYS . 25.3 mm -66.11 -65.31 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 p -86.44 -25.58 25.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.7 mmm 61.78 44.24 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -120.53 173.96 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.98 -177.74 50.02 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.724 ' HB2' HG22 ' A' ' 16' ' ' VAL . 15.0 t80 -69.77 -66.62 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.929 0.395 . . . . 0.0 110.934 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.2 p -40.18 -60.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -41.34 -44.5 2.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.3 mt -66.28 -43.64 91.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.539 HG21 ' CZ ' ' A' ' 25' ' ' TYR . 15.9 m -95.03 27.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -94.52 38.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 72.95 42.9 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.04 -40.07 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.518 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.5 mtt-85 -150.87 169.43 21.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 110.884 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 35' ' ' ILE . 3.2 tt -112.89 158.05 20.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.797 ' N ' HD23 ' A' ' 34' ' ' LEU . 25.7 mm -90.31 116.6 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.5 m -116.78 152.56 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 m -124.64 156.39 37.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.8 p -122.98 175.12 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' CYS . 15.3 pt-20 -83.38 -53.47 5.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' GLU . 22.0 p -34.59 -40.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.87 44.63 0.45 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -141.41 144.57 34.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.8 t -101.47 136.37 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CD2' HD13 ' A' ' 49' ' ' LEU . 53.0 m-85 -140.68 176.9 8.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.7 m -100.96 175.56 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -61.37 -61.49 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -65.51 -56.47 12.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.433 ' HB3' HG21 ' A' ' 20' ' ' ILE . 61.0 m -40.98 -65.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.551 HD13 ' CD2' ' A' ' 44' ' ' PHE . 15.4 tp -55.97 -56.75 16.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -50.1 -26.6 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -83.91 -34.81 24.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 56' ' ' ALA . 11.5 m -70.59 -30.3 66.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.2 mp -70.33 -56.4 6.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -35.16 77.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -84.53 -66.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 52' ' ' SER . . . -90.13 146.49 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.865 HD22 HG23 ' A' ' 58' ' ' THR . 1.0 OUTLIER -79.89 -46.38 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.865 HG23 HD22 ' A' ' 57' ' ' ASN . 68.5 p -103.93 170.41 7.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.5 t -51.96 134.76 38.53 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.659 0.743 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 5.9 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.35 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.4 m -122.01 -71.04 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.8 p -84.84 -23.29 29.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.423 ' C ' ' HB ' ' A' ' 58' ' ' THR . 12.6 mmt180 65.25 54.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -103.49 175.95 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' N ' ' HD3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -81.36 38.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.48 HG13 ' N ' ' A' ' 67' ' ' ASN . 35.1 pt -47.25 -35.75 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.48 ' N ' HG13 ' A' ' 66' ' ' ILE . 61.4 t30 -107.31 150.88 26.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -72.13 -49.89 32.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.3 tptt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 p -79.86 113.44 18.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 110.841 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -52.19 146.51 8.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.55 90.83 0.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.517 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -127.04 90.88 3.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.892 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -172.9 128.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.92 -179.29 52.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.6 m -135.77 142.7 44.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.102 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.2 105.47 0.2 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.8 mt -95.53 136.23 36.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.61 113.26 40.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.572 0.701 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -173.07 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.8 p -96.27 -58.45 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.76 105.82 2.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.1 m -117.51 103.7 10.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.803 0.335 . . . . 0.0 111.139 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.545 HG22 ' HB2' ' A' ' 25' ' ' TYR . 17.9 m -83.92 138.18 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.4 m -126.9 105.18 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.7 t -100.14 118.9 60.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -12.13 32.3 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.639 2.226 . . . . 0.0 112.373 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mm -78.26 -56.44 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.419 ' C ' ' HG2' ' A' ' 22' ' ' MET . 26.9 p -101.5 0.92 37.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.419 ' HG2' ' C ' ' A' ' 21' ' ' CYS . 6.0 ptt? 36.52 44.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -118.88 170.75 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.413 ' O ' HD12 ' A' ' 28' ' ' ILE . . . -86.57 -164.76 40.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.757 ' CZ ' HG11 ' A' ' 29' ' ' VAL . 47.9 t80 -79.09 -44.4 22.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 110.952 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.457 ' HA ' HG22 ' A' ' 29' ' ' VAL . 75.1 p -62.52 -35.23 78.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -69.96 -31.06 68.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 24' ' ' GLY . 43.6 mt -79.91 -49.03 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.757 HG11 ' CZ ' ' A' ' 25' ' ' TYR . 18.2 m -68.01 -29.6 45.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -69.97 -67.32 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.488 ' OD1' ' CZ ' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -42.56 -34.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.65 62.25 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.488 ' CZ ' ' OD1' ' A' ' 31' ' ' ASN . 79.0 mtm-85 -143.98 161.18 39.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.71 162.99 12.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.8 mm -102.68 113.55 39.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 m -115.83 165.82 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 p -141.48 170.71 15.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.5 p -127.55 158.72 36.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -73.43 -13.79 61.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.6 p -71.97 -24.02 61.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.21 28.13 5.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.461 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . 22.6 m170 -127.17 144.93 50.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.2 t -103.01 142.22 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' A' ' 42' ' ' HIS . 47.9 m-85 -147.92 -179.54 6.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 60.9 m -99.89 174.66 6.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.8 p -65.32 -46.87 78.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 48' ' ' CYS . 0.9 OUTLIER -81.29 -57.92 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' GLN . 73.8 m -34.15 -64.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.7 tp -55.74 -42.62 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.422 HH21 HD22 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -55.07 -50.81 68.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.07 -25.75 67.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 m -84.81 -21.89 29.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.422 HD22 HH21 ' A' ' 50' ' ' ARG . 6.3 tp -70.67 -45.96 64.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -73.71 -44.36 56.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -58.7 -67.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.36 178.91 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.413 ' OD1' HG23 ' A' ' 58' ' ' THR . 2.5 t-20 -105.83 -41.58 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.413 HG23 ' OD1' ' A' ' 57' ' ' ASN . 42.9 p -104.39 170.08 8.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 45.8 t -46.59 135.21 7.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.647 0.737 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 4.39 2.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.2 m -119.88 -70.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 13.5 p -84.05 -24.09 30.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' C ' ' HB ' ' A' ' 58' ' ' THR . 33.5 mtm-85 61.53 36.82 16.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -91.3 152.1 20.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -49.42 101.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 pt -121.89 79.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -115.94 107.03 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -119.21 117.45 28.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.945 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 m -147.07 131.74 17.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.843 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -152.24 156.15 39.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.83 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.91 115.47 0.33 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 m -48.17 108.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.866 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 t -152.71 138.7 18.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.27 146.52 18.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.5 m -138.43 141.54 39.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.63 110.66 3.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.427 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 mt -66.42 85.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.333 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -120.36 127.44 26.31 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 130.65 19.73 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.0 m -110.1 133.15 53.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.64 139.42 9.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.9 m -88.08 73.93 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.33 . . . . 0.0 111.113 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.8 m -105.78 162.02 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.165 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.8 p -173.57 114.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.1 t -96.54 117.92 65.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.63 0.728 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -14.51 36.1 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.9 mm -74.65 -68.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.6 p -84.95 -8.66 58.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.1 mtt 42.33 53.58 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -128.63 173.58 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.87 -170.2 35.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.533 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 1.3 t80 -83.08 -43.92 15.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.6 p -62.16 -45.96 91.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -53.18 -53.73 46.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.463 HG23 ' HB2' ' A' ' 33' ' ' ARG . 50.3 mt -47.27 -62.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.2 m -61.25 -26.88 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -50.29 -54.44 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -73.32 -37.34 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.79 -29.16 1.43 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.471 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' HB2' HG23 ' A' ' 28' ' ' ILE . 74.8 mtm-85 -48.91 155.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.849 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' A' ' 34' ' ' LEU . 3.5 mm? -116.84 168.83 9.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.6 mm -97.02 132.27 41.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 m -134.81 176.44 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.1 t -140.8 154.43 46.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -108.86 -176.12 2.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 40' ' ' CYS . 13.2 mp0 -77.93 -62.72 1.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 39' ' ' GLU . 31.3 p -34.95 -43.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.33 28.95 0.95 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.534 ' CE1' ' CG2' ' A' ' 61' ' ' THR . 24.4 m170 -107.12 170.29 8.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.836 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.5 t -118.28 146.02 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.476 ' CD2' HD13 ' A' ' 49' ' ' LEU . 57.5 m-85 -156.71 176.46 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.7 m -100.21 172.84 6.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.4 t -64.88 -43.23 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -79.01 -55.87 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.3 m -42.79 -71.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.476 HD13 ' CD2' ' A' ' 44' ' ' PHE . 14.0 tp -44.75 -53.75 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -44.29 -43.56 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.55 -44.6 86.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.5 p -58.31 -40.13 81.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.3 mp -59.66 -48.91 79.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 5.3 pttm -75.7 -27.26 58.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 57.3 t-20 -73.5 -63.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.58 154.52 46.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.473 ' O ' HG23 ' A' ' 58' ' ' THR . 3.3 m-20 -89.49 42.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 57' ' ' ASN . 68.8 p -160.02 -178.9 7.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.436 ' N ' ' HA ' ' A' ' 63' ' ' ARG . 1.8 t -80.22 134.49 55.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 5.05 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.736 2.291 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.534 ' CG2' ' CE1' ' A' ' 42' ' ' HIS . 22.9 m -125.64 -51.38 1.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 64' ' ' LYS . 27.5 p -115.44 9.37 15.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' CYS . 7.5 ppt_? 33.39 36.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.852 ' O ' HG23 ' A' ' 66' ' ' ILE . 36.6 tttm -89.35 131.16 35.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.501 ' C ' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -30.23 106.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 64' ' ' LYS . 10.2 pt -119.58 74.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' HIS . 56.1 m-80 -89.13 46.37 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' ASN . 1.2 t60 34.43 38.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.4 pttp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_